⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20376620 | 0.84 | ADH1B (0.35) | — | |
| SCHEMBL269932 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL9095825 | 0.77 | — | — | |
| SCHEMBL14746054 | 0.77 | ADH1B (0.41) | — | |
| SCHEMBL6265134 | 0.74 | ADH1B (0.33) | — | |
| SCHEMBL3076820 | 0.74 | ADH1B (0.40) | — | |
| SCHEMBL13518566 | 0.74 | — | — | |
| SCHEMBL13518889 | 0.74 | ADH1B (0.35) | — | |
| SCHEMBL6317824 | 0.74 | — | — | |
| SCHEMBL3914268 | 0.72 | — | — |
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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2964649-B1 | TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER | MERCK PATENT GMBH (DE) | 2017-05-10 | — | — | EP | claimed |
| US-20160015712-A1 | Triazolo[4,5-d]pyrimidine derivatives | MERCK PATENT GMBH (DE) | 2016-01-21 | — | — | US | claimed |
| WO-2024114814-A1 | JAK INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS | ONQUALITY PHARMACEUTICALS CHINA LTD (CN) | 2024-06-06 | — | — | WO | disclosed |
| WO-2023196409-A1 | DISCOVERY OF COVALENT EGFR INHIBITOR THROUGH CYSTEINE 775 | DANA-FARBER CANCER INSTITUTE, INC. (US) | 2023-10-12 | — | — | WO | disclosed |
| US-RE47493-E1 | Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2019-07-09 | — | — | US | disclosed |
| WO-2018112382-A1 | IMIDAZOPYRROLOPYRIDINE AS INHIBITORS OF THE JAK FAMILY OF KINASES | JANSSEN PHARMACEUTICA NV (BE) | 2018-06-21 | — | — | WO | disclosed |
| US-9855268-B2 | Triazolo[4,5-d]pyrimidine derivatives | MERCK PATENT GMBH (DE) | 2018-01-02 | — | — | US | disclosed |
| US-9670166-B2 | Substituted bicyclic dihydropyrimidinones and their use as inhibitors of neutrophil elastase activity | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-06-06 | — | — | US | disclosed |
| EP-2964649-B1 | TRIAZOLO[4,5-D]PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF DISEASES SUCH AS CANCER | MERCK PATENT GMBH (DE) | 2017-05-10 | — | — | EP | disclosed |
| WO-2017060406-A1 | QUINOXALINE AND PYRIDOPYRAZINE DERIVATIVES AS PI3KBETA INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2017-04-13 | — | — | WO | disclosed |
| EP-2964617-B1 | SUBSTITUTED BICYCLIC DIHYDROPYRIMIDINONES AND THEIR USE AS INHIBITORS OF NEUTROPHIL ELASTASE ACTIVITY | BOEHRINGER INGELHEIM INT (DE) | 2017-04-12 | — | — | EP | disclosed |
| US-20080146643-A1 | COMBINATION | PFIZER LIMITED (GB) | 2008-06-19 | — | — | US | disclosed |
| WO-2008072053-A2 | SUBSTITUTED ARYLPYRAZOLES | PFIZER LIMITED (GB) | 2008-06-19 | — | — | WO | disclosed |
| WO-2008072077-A2 | COMBINATION OF 1-ARYL-4-CYCLOPROPYLPYRAZOLES WITH ANTHELMINTIC AGENT FOR PARASITIC INFESTATION | PFIZER LIMITED (GB) | 2008-06-19 | — | — | WO | disclosed |
| EP-1893581-A1 | SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES | Pfizer Limited (GB) | 2008-03-05 | — | — | EP | disclosed |
| US-20070149464-A1 | COMBINATION | PFIZER INC. (US) | 2007-06-28 | — | — | US | disclosed |
| US-20070149550-A1 | 1-aryl-4-cyclopropylpyrazoles with at least one fluorine attached to the cyclopropyl ring; parasiticides; fleas; extended duration of action for at least 28 days | PFIZER INC. (US) | 2007-06-28 | — | — | US | disclosed |
| US-20060287365-A1 | Substituted arylpyrazoles | ZOETIS LLC | 2006-12-21 | — | — | US | disclosed |
| WO-2006134468-A1 | SUBSTITUTED ARYLPYRAZOLES FOR USE AGAINST PARASITITES | PFIZER LIMITED (GB) | 2006-12-21 | — | — | WO | disclosed |
| EP-0103225-A2 | Photoresist for creating relief structures on high-temperature resistant polymers | MERCK PATENT GmbH (DE) | 1984-03-21 | — | — | EP | disclosed |