⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3650891 | 0.72 | — | — | |
| SCHEMBL6870260 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL4532985 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL9460501 | 0.68 | — | — | |
| SCHEMBL7490946 | 0.67 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL7491740 | 0.67 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL18286532 | 0.65 | — | — | |
| SCHEMBL15833938 | 0.65 | — | — | |
| SCHEMBL6735677 | 0.65 | — | — | |
| SCHEMBL17539161 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3674399-A1 | CAR ENZYMES AND IMPROVED PRODUCTION OF FATTY ALCOHOLS | Genomatica, Inc. (US) | 2020-07-01 | — | — | EP | disclosed |
| EP-3153579-B1 | CAR ENZYMES AND IMPROVED PRODUCTION OF FATTY ALCOHOLS | REG LIFE SCIENCES LLC (US) | 2018-03-14 | — | — | EP | disclosed |