⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26958504 | 0.70 | — | — | |
| SCHEMBL1470265 | 0.69 | — | — | |
| SCHEMBL5943350 | 0.65 | — | — | |
| SCHEMBL9542409 | 0.63 | — | — | |
| SCHEMBL21561430 | 0.63 | — | — | |
| SCHEMBL10049096 | 0.63 | — | — | |
| SCHEMBL15403067 | 0.63 | — | — | |
| SCHEMBL9316184 | 0.61 | — | — | |
| SCHEMBL10346482 | 0.59 | — | — | |
| SCHEMBL1030811 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116964037-A | Diaminotriazine compounds | 巴斯夫欧洲公司 | 2023-10-27 | — | — | CN | disclosed |