⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1254958 | 0.71 | — | — | |
| SCHEMBL28172907 | 0.70 | — | — | |
| SCHEMBL28924790 | 0.69 | — | — | |
| SCHEMBL7650423 | 0.69 | — | — | |
| SCHEMBL534671 | 0.65 | ALDH1A1 (0.31) | — | |
| SCHEMBL7652056 | 0.63 | — | — | |
| SCHEMBL28495823 | 0.61 | — | — | |
| SCHEMBL4287545 | 0.61 | — | — | |
| SCHEMBL28453679 | 0.61 | — | — | |
| SCHEMBL16516857 | 0.60 | ALDH1A1 (0.34) | — |
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-6369186-B1 | POLYISOCYANATE, ACRYLIC OLIGOMER COMPRISING HYDROXYL GROUPS AND POLYSILOXANE; POLYSILOXANEURETHANE COPOLYMERS; PROTECTIVE COATINGS FOR CARS, BOATS AND APPLIANCES | RHODIA CHIMIE (FR) | 2002-04-09 | — | — | US | disclosed |