⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6100800 | 0.78 | — | — | |
| SCHEMBL28947256 | 0.71 | — | — | |
| SCHEMBL13707653 | 0.70 | FAAH (0.32) | — | |
| SCHEMBL8119478 | 0.70 | — | — | |
| SCHEMBL12150375 | 0.68 | — | — | |
| SCHEMBL7428860 | 0.67 | — | — | |
| SCHEMBL28947254 | 0.67 | — | — | |
| SCHEMBL2826754 | 0.66 | — | — | |
| SCHEMBL16704346 | 0.66 | — | — | |
| SCHEMBL5478212 | 0.66 | THRB (0.36) | — |
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-4404144-A | Unsaturated analogs of β-alkyl-β-hydroxy glutaric acid and esters thereof | G. D. SEARLE & CO. (US) | 1983-09-13 | — | — | US | disclosed |