⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6720657 | 0.82 | — | — | |
| SCHEMBL28930311 | 0.74 | TRPA1 (0.31) | — | |
| SCHEMBL9306183 | 0.74 | TRPA1 (0.31) | — | |
| SCHEMBL27185976 | 0.72 | TRPA1 (0.30) | — | |
| SCHEMBL15010938 | 0.69 | — | — | |
| SCHEMBL7620163 | 0.69 | — | — | |
| SCHEMBL29068264 | 0.67 | — | — | |
| SCHEMBL6184126 | 0.66 | CYP3A4 (0.33) | — | |
| SCHEMBL34776 | 0.66 | CHRM1 (0.31) | — | |
| SCHEMBL5408270 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109994288-A | Rigid armored cable is formed with curable sheath | 德莎欧洲股份公司 | 2019-07-09 | — | — | CN | disclosed |
| CN-102731814-B | Be suitable for the composition comprising specific amino formate compounds preparing polyurethane foam | EVONIK DEGUSSA GMBH (DE) | 2016-03-09 | — | — | CN | disclosed |