⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL919346 | 0.90 | — | — | |
| SCHEMBL1092293 | 0.84 | CYP2C19 (0.36) | — | |
| SCHEMBL13387627 | 0.83 | OPRM1 (0.33) | — | |
| SCHEMBL5683131 | 0.83 | — | — | |
| SCHEMBL57190 | 0.82 | CYP2C19 (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL7765853 | 0.81 | OPRM1 (0.32) | — | |
| SCHEMBL142656 | 0.80 | CA12 (0.44) | — | |
| SCHEMBL12190446 | 0.80 | CA12 (0.44) | — | |
| Hydrochloric Acid SCHEMBL28741000 | 0.80 | CYP2C19 (0.36) | — | |
| SCHEMBL28355408 | 0.79 | ANPEP (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1106661-B1 | Coating composition and hardened film obtained therefrom | JSR CORP (JP) | 2006-03-08 | — | — | EP | disclosed |
| US-6660394-B1 | Siloxane-vinyl copolymer, oxazoline crosslinker and organo-metallic betaketone or multifunctional hydrazine; rapid low temperature curing; water, weather, chemical, acid, alkali and wear resistance; durable adhesion | JSR CORPORATION (JP) | 2003-12-09 | — | — | US | disclosed |