⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1577017 | 0.86 | — | — | |
| SCHEMBL32997 | 0.86 | — | — | |
| SCHEMBL2334353 | 0.83 | — | — | |
| Ethylene SCHEMBL27618713 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL27649202 | 0.82 | — | — | |
| Water SCHEMBL20547670 | 0.82 | — | — | |
| Ethylene Glycol SCHEMBL891822 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL28179667 | 0.76 | — | — | |
| Propene SCHEMBL1683272 | 0.75 | — | — | |
| Bicarbonate SCHEMBL4302371 | 0.73 | CASP1 (0.35) | — |
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-107011862-A | Composition containing fluorine-substituted alkene | 霍尼韦尔国际公司 | 2017-08-04 | — | — | CN | disclosed |
| CN-107011863-A | Composition containing fluorine-substituted alkene | 霍尼韦尔国际公司 | 2017-08-04 | — | — | CN | disclosed |