⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23978054 | 0.74 | TYMP (0.31) | — | |
| SCHEMBL23960297 | 0.71 | — | — | |
| SCHEMBL23978092 | 0.69 | — | — | |
| SCHEMBL23960287 | 0.67 | — | — | |
| SCHEMBL30396662 | 0.63 | — | — | |
| SCHEMBL8557305 | 0.63 | HMGCR (0.31) | — | |
| SCHEMBL30632267 | 0.61 | — | — | |
| SCHEMBL28118419 | 0.61 | — | — | |
| SCHEMBL23978110 | 0.60 | GABRA2 (0.31) | — | |
| SCHEMBL30396565 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021219731-A2 | BICYCLIC KINASE INHIBITORS AND USES THEREOF | IOMX THERAPEUTICS AG (DE) | 2021-11-04 | — | — | WO | disclosed |