⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL920451 | 0.64 | KMT2A (0.31) | — | |
| SCHEMBL920706 | 0.61 | MEN1 (0.32) | — | |
| SCHEMBL9059294 | 0.61 | — | — | |
| SCHEMBL204448 | 0.61 | HTR6 (0.31) | — | |
| SCHEMBL6498117 | 0.58 | — | — | |
| SCHEMBL8789877 | 0.58 | — | — | |
| SCHEMBL9044554 | 0.58 | — | — | |
| SCHEMBL170418 | 0.58 | — | — | |
| SCHEMBL8788678 | 0.58 | — | — | |
| SCHEMBL6641164 | 0.56 | CTDSP1 (0.34) | — |
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-0875513-A1 | Substituted heteroaromatic 5-HT 1F agonists | ELI LILLY AND COMPANY (US) | 1998-11-04 | — | — | EP | disclosed |