⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11156764 | 0.83 | TSHR (0.33) | — | |
| SCHEMBL7739893 | 0.80 | KDM4E (0.36) | — | |
| SCHEMBL25964897 | 0.76 | — | — | |
| SCHEMBL11605560 | 0.76 | — | — | |
| SCHEMBL20415180 | 0.75 | — | — | |
| SCHEMBL24422510 | 0.74 | — | — | |
| SCHEMBL13997980 | 0.74 | KDM4E (0.54) | — | |
| SCHEMBL19447764 | 0.74 | — | — | |
| SCHEMBL18758835 | 0.72 | — | — | |
| SCHEMBL30934742 | 0.72 | PHF8 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9878991-B2 | TRPV1 antagonists including dihydroxy substituent and uses thereof | PURDUE PHARMA L.P. (US) | 2018-01-30 | — | — | US | disclosed |