⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5699655 | 1.00 | — | — | |
| SCHEMBL6852635 | 0.78 | — | — | |
| SCHEMBL8744775 | 0.78 | — | — | |
| SCHEMBL12910702 | 0.78 | — | — | |
| SCHEMBL3922773 | 0.78 | — | — | |
| SCHEMBL195750 | 0.77 | — | — | |
| SCHEMBL24925542 | 0.76 | ALDH1A1 (0.53) | — | |
| SCHEMBL1986431 | 0.76 | GABRP (0.54) | — | |
| SCHEMBL27761365 | 0.76 | LTA4H (0.47) | — | |
| SCHEMBL27874170 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230173092-A1 | ANTIBODY-DRUG CONJUGATES | SPIREA LIMITED (GB) | 2023-06-08 | — | — | US | disclosed |
| US-9994881-B2 | Functionalized carboxylic acids and alcohols by reverse fatty acid oxidation in engineered microbes | WILLIAM MARSH RICE UNIVERSITY (US) | 2018-06-12 | — | — | US | disclosed |
| EP-2753689-B1 | FUNCTIONALIZED CARBOXYLIC ACIDS AND ALCOHOLS BY REVERSE FATTY ACID OXIDATION | UNIV RICE WILLIAM M (US) | 2018-02-14 | — | — | EP | disclosed |
| US-20140273110-A1 | FUNCTIONALIZED CARBOXYLIC ACIDS AND ALCOHOLS BY REVERSE FATTY ACID OXIDATION | WILLIAM MARSH RICE UNIVERSITY (US) | 2014-09-18 | — | — | US | disclosed |