⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9732136 | 0.97 | — | — | |
| SCHEMBL29084376 | 0.94 | — | — | |
| SCHEMBL31536492 | 0.94 | — | — | |
| SCHEMBL703179 | 0.81 | CYP1A2 (0.57) | — | |
| SCHEMBL4197495 | 0.78 | CYP1A2 (0.55) | — | |
| SCHEMBL476037 | 0.78 | CYP1A2 (0.55) | — | |
| SCHEMBL11050214 | 0.78 | CYP1A2 (0.55) | — | |
| Ammonia Solution, Strong SCHEMBL2167059 | 0.78 | CYP1A2 (0.55) | — | |
| SCHEMBL3468424 | 0.78 | CYP1A2 (0.55) | — | |
| Ammonia Solution, Strong SCHEMBL4729917 | 0.78 | CYP1A2 (0.55) | — |
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-110194931-A | A kind of method of the fabricated in situ vulcanization composite lubricated coating of Nano silver grain reinforced TFE base | 中国科学院兰州化学物理研究所 | 2019-09-03 | — | — | CN | claimed |
| CN-110194931-A | A kind of method of the fabricated in situ vulcanization composite lubricated coating of Nano silver grain reinforced TFE base | 中国科学院兰州化学物理研究所 | 2019-09-03 | — | — | CN | disclosed |