⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30217149 | 1.00 | — | — | |
| SCHEMBL29237333 | 0.87 | — | — | |
| SCHEMBL29237338 | 0.86 | THRA (0.32) | — | |
| SCHEMBL29237619 | 0.85 | ESR1 (0.31) | — | |
| SCHEMBL30216989 | 0.85 | ESR1 (0.31) | — | |
| SCHEMBL29237667 | 0.81 | FFAR1 (0.36) | — | |
| SCHEMBL30217009 | 0.81 | FFAR1 (0.36) | — | |
| SCHEMBL30217394 | 0.80 | — | — | |
| SCHEMBL29237831 | 0.79 | — | — | |
| SCHEMBL30217077 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118201919-A | Indole compounds and methods of use | 健赞公司 | 2024-06-14 | — | — | CN | disclosed |