⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1031827 | 0.71 | — | — | |
| SCHEMBL12825106 | 0.71 | — | — | |
| SCHEMBL8058354 | 0.71 | — | — | |
| SCHEMBL12831357 | 0.69 | — | — | |
| SCHEMBL20327927 | 0.67 | ALOX15 (0.41) | — | |
| SCHEMBL8053041 | 0.67 | — | — | |
| SCHEMBL15160295 | 0.66 | GABRP (0.32) | — | |
| SCHEMBL13176642 | 0.65 | CYP1A2 (0.36) | — | |
| SCHEMBL5497102 | 0.65 | TET2 (0.39) | — | |
| SCHEMBL15403746 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220411406-A1 | LPA RECEPTOR ANTAGONISTS AND USES THEREOF | GILEAD SCIENCES, INC. | 2022-12-29 | — | — | US | disclosed |