⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14388673 | 0.94 | — | — | |
| SCHEMBL12975960 | 0.94 | — | — | |
| SCHEMBL13688309 | 0.94 | — | — | |
| SCHEMBL9236444 | 0.89 | — | — | |
| SCHEMBL17771610 | 0.80 | — | — | |
| SCHEMBL10928090 | 0.79 | — | — | |
| SCHEMBL29157498 | 0.78 | — | — | |
| SCHEMBL58122 | 0.77 | — | — | |
| SCHEMBL19322788 | 0.77 | — | — | |
| SCHEMBL21782567 | 0.77 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115926104-A | Isophorone diisocyanate composition with moderate reactivity with alcohols | 万华化学集团股份有限公司 | 2023-04-07 | — | — | CN | disclosed |
| US-4891271-A | POLYURETHANE ENERGY ABSORBER | SAINT-GOBAIN VITRAGE (FR) | 1990-01-02 | — | — | US | disclosed |
| US-4784916-A | POLYURETHANES, MULTILAYER GLASS WITH ENERGY ABSORBING ADHESIVE | SAINT GOBAIN VITRAGE (FR) | 1988-11-15 | — | — | US | disclosed |
| US-4671838-A | POLYURETHANES; SAFETY WINDSHIELDS | SAINT-GOBAIN VITRAGE (FR) | 1987-06-09 | — | — | US | disclosed |
| US-4652494-A | POLYURETHANE, WINDSHIELD | SAINT-GOBAIN VITRAGE (FR) | 1987-03-24 | — | — | US | disclosed |