⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1807300 | 0.79 | — | — | |
| SCHEMBL24679 | 0.70 | — | — | |
| SCHEMBL12820399 | 0.67 | — | — | |
| SCHEMBL12820823 | 0.67 | — | — | |
| SCHEMBL11591429 | 0.67 | — | — | |
| SCHEMBL2109467 | 0.64 | ALDH1A1 (0.45) | — | |
| SCHEMBL2112447 | 0.64 | ALDH1A1 (0.45) | — | |
| SCHEMBL26145 | 0.64 | — | — | |
| SCHEMBL9206593 | 0.64 | ALDH1A1 (0.45) | — | |
| SCHEMBL27638721 | 0.62 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9096598-B2 | Azaindoles as Janus kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-08-04 | — | — | US | claimed |
| WO-2002072571-A2 | PYRIDINYL PYRAZOLES USEFUL FOR THE TREATMENT OF COPD | BAYER AKTIENGESELLSCHAFT (DE) | 2002-09-19 | — | — | WO | claimed |
| EP-2763535-B1 | AZAINDOLES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME (US) | 2017-06-07 | — | — | EP | disclosed |
| US-9096598-B2 | Azaindoles as Janus kinase inhibitors | MERCK SHARP & DOHME CORP. (US) | 2015-08-04 | — | — | US | disclosed |
| US-20140303142-A1 | AZAINDOLES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME LLC | 2014-10-09 | — | — | US | disclosed |
| EP-2763535-A1 | AZAINDOLES AS JANUS KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-08-13 | — | — | EP | disclosed |
| WO-2013052355-A1 | AZAINDOLES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-04-11 | — | — | WO | disclosed |
| WO-2002072571-A2 | PYRIDINYL PYRAZOLES USEFUL FOR THE TREATMENT OF COPD | BAYER AKTIENGESELLSCHAFT (DE) | 2002-09-19 | — | — | WO | disclosed |