⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28656121 | 0.67 | — | — | |
| SCHEMBL8621439 | 0.64 | — | — | |
| SCHEMBL1134327 | 0.56 | — | — | |
| SCHEMBL8995501 | 0.52 | TSHR (0.50) | — | |
| SCHEMBL28181955 | 0.52 | — | — | |
| SCHEMBL27362475 | 0.51 | — | — | |
| SCHEMBL7040277 | 0.51 | — | — | |
| SCHEMBL28858569 | 0.50 | HTR2A (0.40) | — | |
| SCHEMBL28858478 | 0.50 | TSHR (0.48) | — | |
| SCHEMBL11090262 | 0.49 | — | — |
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-1723209-A | Indol derivatives and their use as 5-HT ligands | MERCK PATENT GMBH (DE) | 2006-01-18 | — | — | CN | disclosed |