⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21621541 | 0.72 | — | — | |
| SCHEMBL2956006 | 0.70 | — | — | |
| SCHEMBL27850122 | 0.65 | GAK (0.40) | — | |
| SCHEMBL27867157 | 0.64 | ALDH1A1 (0.43) | — | |
| SCHEMBL8744681 | 0.63 | CDK9 (0.32) | — | |
| SCHEMBL27850241 | 0.62 | LMNA (0.47) | — | |
| SCHEMBL6793781 | 0.61 | KMT2A (0.35) | — | |
| SCHEMBL2812624 | 0.57 | — | — | |
| SCHEMBL10475282 | 0.56 | — | — | |
| SCHEMBL21721114 | 0.55 | — | — |
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-104768554-B | Triazol compound | 霍夫曼-拉罗奇有限公司 | 2018-04-17 | — | — | CN | disclosed |