⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6161433 | 0.98 | — | — | |
| SCHEMBL6161984 | 0.98 | — | — | |
| SCHEMBL19515178 | 0.93 | — | — | |
| SCHEMBL22283289 | 0.89 | — | — | |
| SCHEMBL9716381 | 0.89 | SHBG (0.32) | — | |
| SCHEMBL2840978 | 0.87 | SHBG (0.35) | — | |
| SCHEMBL58339 | 0.84 | SHBG (0.34) | — | |
| SCHEMBL6741301 | 0.84 | SHBG (0.30) | — | |
| SCHEMBL5544181 | 0.82 | — | — | |
| SCHEMBL6741115 | 0.82 | SHBG (0.38) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0893442-B1 | LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES | SHIONOGI & CO (JP) | 2005-01-12 | — | — | EP | disclosed |
| EP-0742218-B1 | PYRROLOPYRIDAZINE DERIVATIVE | SANKYO CO (JP) | 2002-12-04 | — | — | EP | disclosed |
| US-6063782-A | Pyrrolopyridazine derivatives | SANKYO COMPANY, LIMITED (JP) | 2000-05-16 | — | — | US | disclosed |
| US-6054591-A | LYMPHOTROPIC ANTI-AIDS AGENT | SHIONOGI & CO., LTD. (JP) | 2000-04-25 | — | — | US | disclosed |
| EP-0893442-A1 | LYMPH-ABSORBABLE IMIDAZOLE DERIVATIVES | SHIONOGI & CO., LTD. (JP) | 1999-01-27 | — | — | EP | 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 |