⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14135675 | 0.72 | — | — | |
| SCHEMBL900055 | 0.72 | — | — | |
| SCHEMBL10742228 | 0.70 | — | — | |
| SCHEMBL31543061 | 0.70 | — | — | |
| SCHEMBL5987675 | 0.70 | — | — | |
| SCHEMBL28011840 | 0.70 | — | — | |
| SCHEMBL24913123 | 0.68 | — | — | |
| SCHEMBL7021577 | 0.66 | — | — | |
| SCHEMBL28253704 | 0.65 | — | — | |
| SCHEMBL28225803 | 0.65 | — | — |
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-109476658-A | Substituted 5,6,7,8- tetrahydro [1,2,4] triazol [4,3-A] pyridine -3 (2H) -one and 2,5,6,7- tetrahydro -3H- pyrrolo- [2,1-c] [1,2,4] triazole -3- ketone and application thereof | 拜耳公司 | 2019-03-15 | — | — | CN | disclosed |