⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7991276 | 0.82 | — | — | |
| SCHEMBL7479466 | 0.82 | — | — | |
| SCHEMBL7991209 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL911064 | 0.73 | — | — | |
| SCHEMBL2140363 | 0.73 | SIGMAR1 (0.31) | — | |
| SCHEMBL2140278 | 0.71 | SIGMAR1 (0.35) | — | |
| SCHEMBL7992333 | 0.71 | ALDH1A1 (0.32) | — | |
| SCHEMBL22772 | 0.69 | — | — | |
| SCHEMBL458581 | 0.69 | — | — | |
| SCHEMBL5864430 | 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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009145357-A1 | IN 1-POSITION DURCH EINEN RING SUBSTITUIERTE BENZO [1, 4] DIAZEPINE ZUR VERWENDUNGS ALS ANTIDEPRESSIVA | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2009-12-03 | — | — | WO | disclosed |
| EP-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |
| EP-0742218-B1 | PYRROLOPYRIDAZINE DERIVATIVE | SANKYO CO (JP) | 2002-12-04 | — | — | EP | disclosed |
| US-6277790-B1 | APPLYING PLANTS, SEEDS, SOILS OR ENVIRONMENT | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-21 | — | — | US | disclosed |
| EP-1003741-A1 | SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-31 | — | — | EP | disclosed |
| US-6063782-A | Pyrrolopyridazine derivatives | SANKYO COMPANY, LIMITED (JP) | 2000-05-16 | — | — | US | disclosed |
| CN-1044811-C | Pyrrolopyridazine derivatives | SANKYO CO (JP) | 1999-08-25 | — | — | CN | disclosed |
| WO-1999007702-A1 | SUBSTITUTED HERBICIDE TETRAZOLINONECARBOXYLIC ACID AMIDES | BASF AKTIENGESELLSCHAFT (DE) | 1999-02-18 | — | — | WO | disclosed |
| CN-1143964-A | Pyrrolopyridazine derivative | SANKYO CO (JP) | 1997-02-26 | — | — | CN | disclosed |
| EP-0742218-A1 | PYRROLOPYRIDAZINE DERIVATIVE | SANKYO COMPANY LIMITED (JP) | 1996-11-13 | — | — | EP | disclosed |