⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2437573 | 0.69 | AR (0.35) | — | |
| SCHEMBL4006946 | 0.67 | ALB (0.41) | — | |
| SCHEMBL30822021 | 0.66 | KMT2A (0.35) | — | |
| SCHEMBL3503733 | 0.65 | APP (0.36) | — | |
| SCHEMBL4853079 | 0.62 | KDM4E (0.38) | — | |
| SCHEMBL29905039 | 0.61 | SOS1 (0.32) | — | |
| SCHEMBL3568409 | 0.61 | LTB4R (0.34) | — | |
| SCHEMBL29905078 | 0.61 | KDM4E (0.39) | — | |
| SCHEMBL3005779 | 0.60 | KDM4E (0.35) | — | |
| SCHEMBL15878725 | 0.60 | HTR2C (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7834034-B2 | Benzothiophene derivatives | MERCK SHARP & DOHME CORP. (US) | 2010-11-16 | — | — | US | disclosed |