⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11381619 | 0.84 | MAPT (0.32) | — | |
| SCHEMBL29145259 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL27427900 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL28114549 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL28670717 | 0.77 | KDM4E (0.30) | — | |
| SCHEMBL27494214 | 0.77 | — | — | |
| SCHEMBL7797191 | 0.75 | MEN1 (0.35) | — | |
| Benzene SCHEMBL27516660 | 0.73 | — | — | |
| SCHEMBL26134577 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL3470484 | 0.71 | MEN1 (0.37) | — |
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-116075542-A | Curable silicone composition and cured product thereof | 美国陶氏有机硅公司 | 2023-05-05 | — | — | CN | disclosed |