⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL61220 | 1.00 | — | — | |
| Benzene SCHEMBL28260613 | 0.97 | CYP3A4 (0.58) | — | |
| Hydrochloric Acid SCHEMBL28657534 | 0.97 | — | — | |
| SCHEMBL2960481 | 0.97 | — | — | |
| SCHEMBL27270310 | 0.97 | — | — | |
| Methane SCHEMBL1639492 | 0.97 | — | — | |
| Benzene SCHEMBL21624958 | 0.97 | CYP3A4 (0.58) | — | |
| SCHEMBL25975098 | 0.85 | MAOA (0.62) | — | |
| Phenol SCHEMBL27588321 | 0.84 | ALDH1A1 (0.58) | — | |
| Benzenethiol SCHEMBL27818160 | 0.83 | CYP3A4 (0.63) | — |
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-118600735-A | Antibacterial fabric and preparation process thereof | 河北宝盛纺织品有限公司 | 2024-09-06 | — | — | CN | disclosed |