⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17599606 | 0.60 | FFAR3 (0.32) | — | |
| SCHEMBL11417195 | 0.58 | FFAR3 (0.35) | — | |
| SCHEMBL26978817 | 0.58 | FFAR3 (0.35) | — | |
| SCHEMBL26980571 | 0.58 | FFAR3 (0.35) | — | |
| SCHEMBL7598215 | 0.57 | FFAR3 (0.33) | — | |
| SCHEMBL6547124 | 0.55 | FFAR3 (0.32) | — | |
| SCHEMBL18320571 | 0.54 | FFAR3 (0.30) | — | |
| SCHEMBL6547118 | 0.54 | FFAR3 (0.30) | — | |
| SCHEMBL9346548 | 0.54 | FFAR3 (0.40) | — | |
| Propionic Acid SCHEMBL27484067 | 0.54 | — | — |
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-4235923-A | Esters of 3-substituted-2-(aminocarbonyl)oxiranecarboxylic acids as lipogenesis inhibitors | SHELL OIL COMPANY (US) | 1980-11-25 | — | — | US | disclosed |