⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17548927 | 0.60 | DHFR (0.31) | — | |
| SCHEMBL14372334 | 0.53 | — | — | |
| SCHEMBL14275464 | 0.49 | F2 (0.48) | — | |
| SCHEMBL4430215 | 0.48 | — | — | |
| SCHEMBL4380039 | 0.47 | F2 (0.38) | — | |
| SCHEMBL8857850 | 0.47 | — | — | |
| SCHEMBL6857906 | 0.46 | F2 (0.62) | — | |
| SCHEMBL2446004 | 0.46 | GSK3B (0.48) | — | |
| SCHEMBL12927818 | 0.46 | F2 (1.00) | — | |
| SCHEMBL28475407 | 0.46 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010092322-A1 | METHODS OF ASSAYING FOR TETRAHYDROCANNABINOL | OXTOX LIMITED (GB) | 2010-08-19 | — | — | WO | disclosed |