⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11859769 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL11859852 | 0.76 | KDM4E (0.34) | — | |
| SCHEMBL8120187 | 0.75 | GABRA1 (0.38) | — | |
| SCHEMBL18817927 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL12936636 | 0.72 | TAAR1 (0.43) | — | |
| SCHEMBL457593 | 0.71 | — | — | |
| SCHEMBL11191374 | 0.70 | — | — | |
| SCHEMBL7472894 | 0.70 | — | — | |
| SCHEMBL1661546 | 0.70 | — | — | |
| SCHEMBL8358793 | 0.70 | — | — |
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-3998809-A | ANTICONVULSANTS, SEDATIVES, MUSCLE RELAXANTS, TRANQUILIZERS | KALI-CHEMIE AKTIENGESELLSCHAFT (DT) | 1976-12-21 | — | — | US | claimed |