⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7649903 | 1.00 | — | — | |
| Fluoride Ion SCHEMBL405052 | 0.71 | — | — | |
| SCHEMBL80291 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL6669821 | 0.71 | CYP3A4 (0.33) | — | |
| Iodide SCHEMBL489817 | 0.71 | — | — | |
| SCHEMBL2671521 | 0.71 | — | — | |
| SCHEMBL7197453 | 0.71 | — | — | |
| Bromide SCHEMBL489704 | 0.71 | — | — | |
| SCHEMBL7200388 | 0.71 | — | — | |
| SCHEMBL15364346 | 0.71 | — | — |
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-105820551-A | Antiaging polyurethane composite material | 滁州环球聚氨酯科技有限公司 | 2016-08-03 | — | — | CN | claimed |
| CN-105820551-A | Antiaging polyurethane composite material | 滁州环球聚氨酯科技有限公司 | 2016-08-03 | — | — | CN | disclosed |