⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28150962 | 0.97 | GABRP (0.42) | — | |
| Hydrochloric Acid SCHEMBL28150961 | 0.97 | GABRP (0.42) | — | |
| SCHEMBL30843961 | 0.79 | LTA4H (0.41) | — | |
| SCHEMBL3922771 | 0.78 | — | — | |
| SCHEMBL5484014 | 0.78 | — | — | |
| SCHEMBL6852628 | 0.78 | — | — | |
| Malonic Acid SCHEMBL5874737 | 0.77 | LDHA (0.56) | — | |
| SCHEMBL517270 | 0.77 | — | — | |
| SCHEMBL8585811 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL17275361 | 0.76 | LTA4H (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2753689-B1 | FUNCTIONALIZED CARBOXYLIC ACIDS AND ALCOHOLS BY REVERSE FATTY ACID OXIDATION | UNIV RICE WILLIAM M (US) | 2018-02-14 | — | — | EP | disclosed |