⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL308952 | 0.89 | CD81 (0.33) | — | |
| SCHEMBL308407 | 0.85 | TFPI2 (0.36) | — | |
| SCHEMBL30436867 | 0.81 | ALDH1A1 (0.40) | — | |
| SCHEMBL30915479 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL7713675 | 0.77 | — | — | |
| SCHEMBL7713678 | 0.77 | KDM4E (0.31) | — | |
| SCHEMBL28929943 | 0.76 | TFPI2 (0.32) | — | |
| SCHEMBL8849391 | 0.76 | ALOX5 (0.30) | — | |
| SCHEMBL8849394 | 0.76 | ALOX5 (0.30) | — | |
| SCHEMBL29942249 | 0.76 | — | — |
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-6376559-B1 | SILICA SOL IN SOLVENT | BASF NOF COATINGS CO., LTD. (JP) | 2002-04-23 | — | — | US | disclosed |