⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14255542 | 0.81 | — | — | |
| SCHEMBL12944314 | 0.79 | HTR2A (0.31) | — | |
| SCHEMBL30198381 | 0.77 | — | — | |
| SCHEMBL18722259 | 0.74 | — | — | |
| SCHEMBL684059 | 0.73 | AURKA (0.33) | — | |
| SCHEMBL7880737 | 0.70 | — | — | |
| SCHEMBL8238104 | 0.70 | — | — | |
| SCHEMBL19416483 | 0.70 | — | — | |
| SCHEMBL15109029 | 0.68 | — | — | |
| SCHEMBL15045138 | 0.68 | — | — |
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-115836056-A | NOTCH inhibitors and uses thereof | STEMSYNERGY疗法有限责任公司 | 2023-03-21 | — | — | CN | disclosed |