⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7248227 | 0.79 | — | — | |
| SCHEMBL7249804 | 0.79 | KDM4E (0.31) | — | |
| SCHEMBL7254165 | 0.78 | CYP2C9 (0.42) | — | |
| SCHEMBL7249053 | 0.77 | — | — | |
| SCHEMBL7249087 | 0.77 | MC4R (0.31) | — | |
| SCHEMBL7252541 | 0.76 | — | — | |
| SCHEMBL19580327 | 0.76 | — | — | |
| SCHEMBL21696266 | 0.75 | — | — | |
| SCHEMBL7249111 | 0.71 | PAOX (0.32) | — | |
| Sulfuric Acid SCHEMBL8782471 | 0.71 | USP2 (0.32) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1045834-A1 | 4(3)SUBSTITUTED-4(3)-AMINOMETHYL-(THIO)PYRAN OR -PIPERIDINE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | WARNER-LAMBERT COMPANY (US) | 2000-10-25 | — | — | EP | claimed |
| WO-1999031057-A1 | 4(3)SUBSTITUTED-4(3)-AMINOMETHYL-(THIO)PYRAN OR -PIPERIDINE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | WARNER-LAMBERT COMPANY (US) | 1999-06-24 | — | — | WO | claimed |
| EP-3177612-B1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION AS (DK) | 2022-02-23 | — | — | EP | disclosed |
| US-11254681-B2 | Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases | NUEVOLUTION A/S (DK) | 2022-02-22 | — | — | US | disclosed |
| US-11254681-B2 | Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases | NUEVOLUTION A/S (DK) | 2022-02-22 | — | — | US | disclosed |
| CN-106661002-B | Pyrimidine derivatives for the treatment of inflammatory, metabolic, neoplastic and autoimmune diseases | 纽韦卢森公司 | 2021-06-29 | — | — | CN | disclosed |
| US-20200392140-A1 | OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION A/S (DK) | 2020-12-17 | — | — | US | disclosed |
| US-20200392140-A1 | OPTIONALLY FUSED HETEROCYCLYL- SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION A/S (DK) | 2020-12-17 | — | — | US | disclosed |
| US-10683293-B2 | Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases | NUEVOLUTION A/S (DK) | 2020-06-16 | — | — | US | disclosed |
| US-10683293-B2 | Optionally fused heterocyclyl-substituted derivatives of pyrimidine useful for the treatment of inflammatory, metabolic, oncologic and autoimmune diseases | NUEVOLUTION A/S (DK) | 2020-06-16 | — | — | US | disclosed |
| US-20170342074-A1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION A/S (DK) | 2017-11-30 | — | — | US | disclosed |
| US-20170342074-A1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION A/S (DK) | 2017-11-30 | — | — | US | disclosed |
| US-20170342074-A1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION A/S (DK) | 2017-11-30 | — | — | US | disclosed |
| EP-3177612-A1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | Nuevolution A/S (DK) | 2017-06-14 | — | — | EP | disclosed |
| WO-2016020288-A1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION A/S (DK) | 2016-02-11 | — | — | WO | disclosed |
| US-6545022-B1 | Treatment of epilepsy, faintness attacks, hypokinesia, cranial disorders, neurodegenerative disorders, depression, anxiety, panic, pain, neuropathological disorders, inflammatory diseases, and gastrointestinal disorders | PFIZER INC. | 2003-04-08 | — | — | US | disclosed |
| EP-1045834-A1 | 4(3)SUBSTITUTED-4(3)-AMINOMETHYL-(THIO)PYRAN OR -PIPERIDINE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | WARNER-LAMBERT COMPANY (US) | 2000-10-25 | — | — | EP | disclosed |
| WO-1999031057-A1 | 4(3)SUBSTITUTED-4(3)-AMINOMETHYL-(THIO)PYRAN OR -PIPERIDINE DERIVATIVES (=GABAPENTIN ANALOGUES), THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF NEUROLOGICAL DISORDERS | WARNER-LAMBERT COMPANY (US) | 1999-06-24 | — | — | WO | disclosed |