⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25897408 | 0.86 | — | — | |
| SCHEMBL25897411 | 0.86 | — | — | |
| SCHEMBL23940397 | 0.76 | — | — | |
| SCHEMBL2603209 | 0.74 | CRBN (0.33) | — | |
| SCHEMBL8090216 | 0.74 | — | — | |
| SCHEMBL8269461 | 0.70 | — | — | |
| SCHEMBL24282198 | 0.70 | NOS3 (0.32) | — | |
| SCHEMBL5197876 | 0.68 | ALDH1A1 (0.39) | — | |
| SCHEMBL16216106 | 0.65 | — | — | |
| SCHEMBL8931453 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9975858-B2 | Benzimidazole derivatives and use thereof | PURDUE PHARMA L.P. (US) | 2018-05-22 | — | — | US | disclosed |
| US-20180079726-A1 | BENZIMIDAZOLE DERIVATIVES AND USE THEREOF | PURDUE PHARMA LP (US) | 2018-03-22 | — | — | US | disclosed |