⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9919 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL8196526 | 0.94 | — | — | |
| Hexane SCHEMBL28217815 | 0.94 | NAAA (0.48) | — | |
| Benzene SCHEMBL28876662 | 0.90 | NAAA (0.39) | — | |
| SCHEMBL28163436 | 0.90 | NAAA (0.56) | — | |
| SCHEMBL8470522 | 0.90 | TSHR (0.45) | — | |
| Benzene SCHEMBL11855931 | 0.90 | NAAA (0.39) | — | |
| SCHEMBL11007310 | 0.90 | NAAA (0.39) | — | |
| Fluoride SCHEMBL28161761 | 0.90 | NAAA (0.56) | — | |
| Hexane SCHEMBL8984371 | 0.89 | NAAA (0.48) | — |
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-107251307-A | Electrolyte composition comprising fluorocarbons hydrochlorate and the battery comprising it | 索尔维公司 | 2017-10-13 | — | — | CN | disclosed |