⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3208772 | 0.57 | — | — | |
| SCHEMBL454592 | 0.56 | — | — | |
| SCHEMBL4953229 | 0.55 | — | — | |
| SCHEMBL30323275 | 0.55 | — | — | |
| SCHEMBL1996526 | 0.55 | — | — | |
| SCHEMBL3934769 | 0.53 | — | — | |
| SCHEMBL219949 | 0.53 | PKM (0.33) | — | |
| SCHEMBL22045620 | 0.51 | CSNK1D (0.36) | — | |
| SCHEMBL29994991 | 0.51 | ALDH1A1 (0.50) | — | |
| SCHEMBL15935160 | 0.51 | — | — |
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-8884020-B2 | Indole compounds | IRONWOOD PHARMACEUTICALS, INC. (US) | 2014-11-11 | — | — | US | disclosed |
| US-20100197708-A1 | INDOLE COMPOUNDS | WELLS FARGO BANK, NATIONAL ASSOCIATION | 2010-08-05 | — | — | US | disclosed |