⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5013257 | 0.69 | — | — | |
| SCHEMBL30615177 | 0.58 | CYP19A1 (0.32) | — | |
| SCHEMBL29419088 | 0.49 | ALDH1A1 (0.32) | — | |
| SCHEMBL29394860 | 0.40 | TRPA1 (0.32) | — | |
| SCHEMBL30218263 | 0.40 | TRPA1 (0.32) | — | |
| SCHEMBL18327710 | 0.36 | — | — | |
| Bromide SCHEMBL31703446 | 0.33 | MAPT (0.92) | — | |
| Bromide SCHEMBL10568427 | 0.33 | MAPT (0.92) | — | |
| SCHEMBL667950 | 0.32 | — | — | |
| SCHEMBL624822 | 0.32 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0656003-A1 | CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1995-06-07 | — | — | EP | disclosed |