⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21891338 | 0.98 | — | — | |
| SCHEMBL3514711 | 0.71 | — | — | |
| SCHEMBL21728766 | 0.65 | — | — | |
| SCHEMBL821227 | 0.58 | — | — | |
| SCHEMBL21335998 | 0.58 | — | — | |
| SCHEMBL18647498 | 0.55 | INMT (0.38) | — | |
| SCHEMBL25349121 | 0.53 | KDM4E (0.30) | — | |
| SCHEMBL28737151 | 0.53 | CRBN (0.33) | — | |
| SCHEMBL8047062 | 0.53 | — | — | |
| SCHEMBL11720970 | 0.53 | CRBN (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3858824-A1 | APOPTOSIS SIGNAL-REGULATING KINASE INHIBITORS | Gilead Sciences, Inc. (US) | 2021-08-04 | — | — | EP | disclosed |
| US-20080076813-A1 | Benzene, Pyridine, and Pyridazine Derivatives | SERENEX, INC. | 2008-03-27 | — | — | US | disclosed |