⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9317433 | 1.00 | — | — | |
| SCHEMBL9887055 | 0.80 | — | — | |
| SCHEMBL9207477 | 0.80 | — | — | |
| SCHEMBL10762423 | 0.79 | — | — | |
| SCHEMBL4031559 | 0.79 | — | — | |
| SCHEMBL7022986 | 0.76 | — | — | |
| SCHEMBL516461 | 0.74 | — | — | |
| SCHEMBL13716373 | 0.74 | — | — | |
| SCHEMBL4584289 | 0.72 | — | — | |
| SCHEMBL10974190 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111349521-A | Modified vegetable oil fatty acid methyl ester and synthesis method and application thereof | 中国石油化工股份有限公司 | 2020-06-30 | — | — | CN | disclosed |
| EP-0588821-A1 | ANTIFUNGAL COMPOUNDS. | BRITISH TECH GROUP (GB) | 1994-03-30 | — | — | EP | disclosed |
| WO-1992021236-A1 | ANTIFUNGAL COMPOUNDS | BRITISH TECHNOLOGY GROUP LTD. (GB) | 1992-12-10 | — | — | WO | disclosed |
| EP-0144951-B1 | N-2,3-BUTADIENYL-1,4-BUTANEDIAMINE DERIVATIVES | MERRELL DOW PHARMACEUTICALS INC. (US) | 1987-03-18 | — | — | EP | disclosed |