⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25497615 | 0.86 | PARP1 (0.33) | — | |
| SCHEMBL19932524 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL13740507 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL13740504 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL6464223 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL5635597 | 0.71 | TDO2 (0.33) | — | |
| SCHEMBL127815 | 0.71 | BACE1 (0.38) | — | |
| SCHEMBL5937743 | 0.68 | — | — | |
| SCHEMBL5937737 | 0.68 | — | — | |
| SCHEMBL5937749 | 0.68 | — | — |
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-20210130301-A1 | COMPOSITIONS FOR THE TREATMENT OF PULMONARY FIBROSIS | VECTUS BIOSYSTEMS LIMITED (AU) | 2021-05-06 | — | — | US | disclosed |
| US-6974815-B2 | Hexahydro-benzimidazolone compounds useful as anti-inflammatory agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-13 | — | — | US | disclosed |
| US-6974815-B2 | Hexahydro-benzimidazolone compounds useful as anti-inflammatory agents | BRISTOL-MYERS SQUIBB COMPANY (US) | 2005-12-13 | — | — | US | disclosed |
| US-20040116467-A1 | Hexahydro-benzimidazolone compounds useful as anti-inflammatory agents | CEREP SA (FR) | 2004-06-17 | — | — | US | disclosed |
| US-20040116467-A1 | Hexahydro-benzimidazolone compounds useful as anti-inflammatory agents | CEREP SA (FR) | 2004-06-17 | — | — | US | disclosed |
| WO-2004032861-A2 | HEXAHYDRO-BENZIMIDAZOLONE COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2004-04-22 | — | — | WO | disclosed |
| US-3992401-A | MONOMERS FOR POLYESTERS | CIBA-GEIGY CORPORATION (US) | 1976-11-16 | — | — | US | disclosed |
| US-3939125-A | CURABLE | CIBA-GEIGY CORPORATION (US) | 1976-02-17 | — | — | US | disclosed |