⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2536721 | 1.00 | — | — | |
| SCHEMBL28192088 | 0.82 | — | — | |
| SCHEMBL28148672 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL8811482 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL28149798 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL21750 | 0.81 | ALDH1A1 (0.31) | — | |
| Cyclohexane SCHEMBL28240622 | 0.81 | NAAA (0.33) | — | |
| Cyclopropane SCHEMBL5611392 | 0.81 | NAAA (0.33) | — | |
| SCHEMBL28663623 | 0.81 | ALDH1A1 (0.31) | — | |
| SCHEMBL15456431 | 0.81 | KEAP1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7709555-B2 | coatings comprising polythiols, polyisocyanates and moisture activatable latent base catalysts, used as concrete floor coatings, car repair primers or clear coats | AKZO NOBEL COATINGS INTERNATIONAL (NL) | 2010-05-04 | — | — | US | disclosed |
| US-20080194720-A1 | Coating Composition Based on Thiol-Nco Curing | AKZO NOBEL COATINGS INTERNATIONAL B.V. (NL) | 2008-08-14 | — | — | US | disclosed |