⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL177630 | 0.84 | MGAM (0.35) | — | |
| SCHEMBL491258 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL23877920 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL1309191 | 0.77 | — | — | |
| SCHEMBL4563085 | 0.76 | MAPT (0.50) | — | |
| SCHEMBL1948260 | 0.75 | TSHR (0.40) | — | |
| SCHEMBL28165803 | 0.75 | MGAM (0.46) | — | |
| SCHEMBL13101254 | 0.75 | — | — | |
| SCHEMBL94026 | 0.75 | — | — | |
| Acetic Acid SCHEMBL27803441 | 0.75 | FFAR3 (0.35) | — |
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-5654478-A | DEESTERIFICATION OF A ALKENYL CARBOXYLATE WITH PRIMARY | BASF AKTIENGESELLSCHAFT (DE) | 1997-08-05 | — | — | US | disclosed |