⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7255072 | 0.79 | — | — | |
| SCHEMBL7249804 | 0.79 | KDM4E (0.31) | — | |
| SCHEMBL7247683 | 0.78 | CYP2C9 (0.40) | — | |
| SCHEMBL7249087 | 0.77 | MC4R (0.31) | — | |
| SCHEMBL7249053 | 0.77 | — | — | |
| SCHEMBL7252541 | 0.76 | — | — | |
| SCHEMBL7249622 | 0.71 | PAOX (0.32) | — | |
| SCHEMBL7950456 | 0.71 | USP2 (0.31) | — | |
| SCHEMBL7250631 | 0.69 | — | — | |
| SCHEMBL20644822 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |