⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19832 | 0.87 | — | — | |
| Fluoromethane SCHEMBL22462247 | 0.83 | — | — | |
| Fluoride SCHEMBL3074894 | 0.83 | — | — | |
| Methane SCHEMBL20422713 | 0.83 | — | — | |
| Propane SCHEMBL3456380 | 0.80 | — | — | |
| Fluoride Ion SCHEMBL3074892 | 0.80 | — | — | |
| SCHEMBL28479091 | 0.72 | — | — | |
| SCHEMBL9168093 | 0.71 | — | — | |
| SCHEMBL2625652 | 0.71 | — | — | |
| Sulfuric Acid SCHEMBL3674620 | 0.71 | CA5A (0.33) | — |
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-109789653-A | For handling the method for liner, resulting liner and tire comprising such liner | 普利司通美国轮胎运营有限责任公司 | 2019-05-21 | — | — | CN | disclosed |