⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5566331 | 0.67 | — | — | |
| SCHEMBL21843828 | 0.66 | HRH4 (0.42) | — | |
| SCHEMBL22904126 | 0.65 | — | — | |
| SCHEMBL22911357 | 0.64 | PDE9A (0.30) | — | |
| SCHEMBL12514258 | 0.64 | — | — | |
| SCHEMBL16921720 | 0.64 | HRH3 (0.33) | — | |
| SCHEMBL22540945 | 0.64 | — | — | |
| SCHEMBL590213 | 0.64 | — | — | |
| SCHEMBL18412652 | 0.63 | DAO (0.35) | — | |
| SCHEMBL16887768 | 0.62 | CYP2D6 (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012076673-A1 | 6-AMINO-2-PHENYLAMINO-1H-BENZIMIDAZOLE-5-CARBOXAMIDE- DERIVATIVES AND THEIR USE AS MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-06-14 | — | — | WO | disclosed |