⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30217274 | 1.00 | — | — | |
| SCHEMBL30967780 | 0.88 | PTGS1 (0.32) | — | |
| SCHEMBL30217195 | 0.84 | THRA (0.34) | — | |
| SCHEMBL29237346 | 0.84 | THRA (0.34) | — | |
| SCHEMBL29237726 | 0.82 | CYP4F2 (0.31) | — | |
| SCHEMBL30217254 | 0.82 | CYP4F2 (0.31) | — | |
| SCHEMBL30967926 | 0.82 | CYP4F2 (0.31) | — | |
| SCHEMBL30217100 | 0.82 | CYP4F2 (0.31) | — | |
| SCHEMBL31176791 | 0.80 | S1PR1 (0.33) | — | |
| SCHEMBL30217150 | 0.80 | DRD1 (0.30) | — |
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 |