⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11186016 | 0.96 | — | — | |
| SCHEMBL11336515 | 0.81 | CDK1 (0.30) | — | |
| SCHEMBL11176133 | 0.81 | CDK1 (0.30) | — | |
| SCHEMBL11179420 | 0.77 | MAPT (0.41) | — | |
| SCHEMBL11185316 | 0.77 | MAPT (0.41) | — | |
| SCHEMBL11183821 | 0.73 | — | — | |
| SCHEMBL15004922 | 0.71 | — | — | |
| SCHEMBL632491 | 0.66 | MEN1 (0.43) | — | |
| SCHEMBL11274411 | 0.66 | ESR1 (0.39) | — | |
| SCHEMBL15082552 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4369207-A | PHOTOPOLYMERIZING | TEIJIN LIMITED (JP) | 1983-01-18 | — | — | US | claimed |