⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8201850 | 0.79 | — | — | |
| SCHEMBL3420127 | 0.76 | — | — | |
| SCHEMBL4577068 | 0.75 | FUCA1 (0.41) | — | |
| SCHEMBL3131104 | 0.75 | ARG1 (0.33) | — | |
| SCHEMBL9512704 | 0.75 | ARG1 (0.30) | — | |
| SCHEMBL6471813 | 0.72 | — | — | |
| SCHEMBL7124783 | 0.71 | GRIK2 (0.33) | — | |
| SCHEMBL902355 | 0.70 | — | — | |
| SCHEMBL1641587 | 0.70 | — | — | |
| SCHEMBL976194 | 0.70 | — | — |
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-108463499-A | Elastic composition and vulcanization accelerator used in it | 倍耐力轮胎股份公司 | 2018-08-28 | — | — | CN | disclosed |