⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20876011 | 0.97 | — | — | |
| SCHEMBL451286 | 0.86 | — | — | |
| SCHEMBL159070 | 0.78 | — | — | |
| SCHEMBL157352 | 0.78 | — | — | |
| SCHEMBL1241569 | 0.78 | — | — | |
| Methane SCHEMBL28052438 | 0.76 | — | — | |
| SCHEMBL24645160 | 0.74 | — | — | |
| SCHEMBL13249198 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL11067283 | 0.72 | — | — | |
| SCHEMBL97936 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230095196-A1 | COLOR-STABLE CURING AGENT COMPOSITIONS COMPRISING WATER-DISPERSIBLE POLYISOCYANATES | BASF SE (DE) | 2023-03-30 | — | — | US | disclosed |
| EP-4097157-A1 | COLOR-STABLE CURING AGENT COMPOSITIONS COMPRISING WATER-DISPERSIBLE POLYISOCYANATES | BASF SE (DE) | 2022-12-07 | — | — | EP | disclosed |
| CN-115427473-A | Color stable curing agent compositions comprising water dispersible polyisocyanates | 巴斯夫欧洲公司 | 2022-12-02 | — | — | CN | disclosed |
| WO-2021151774-A1 | COLOR-STABLE CURING AGENT COMPOSITIONS COMPRISING WATER-DISPERSIBLE POLYISOCYANATES | BASF SE (DE) | 2021-08-05 | — | — | WO | disclosed |
| WO-2019068529-A1 | WATER-DISPERSIBLE POLYISOCYANATES | BASF SE (DE) | 2019-04-11 | — | — | WO | disclosed |