⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18320571 | 0.87 | FFAR3 (0.30) | — | |
| SCHEMBL17599606 | 0.61 | FFAR3 (0.32) | — | |
| SCHEMBL11417195 | 0.59 | FFAR3 (0.35) | — | |
| SCHEMBL26978817 | 0.59 | FFAR3 (0.35) | — | |
| SCHEMBL26980571 | 0.59 | FFAR3 (0.35) | — | |
| SCHEMBL3685498 | 0.58 | — | — | |
| SCHEMBL13082422 | 0.57 | FFAR3 (0.33) | — | |
| SCHEMBL13082842 | 0.57 | FFAR3 (0.33) | — | |
| SCHEMBL21950901 | 0.56 | FFAR3 (0.32) | — | |
| SCHEMBL21950896 | 0.56 | FFAR3 (0.32) | — |
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-111868364-B | Metal cleaning composition comprising furoate ester and use thereof | 北美产品集团有限责任公司 | 2022-10-14 | — | — | CN | disclosed |