⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18986652 | 0.79 | — | — | |
| SCHEMBL31681667 | 0.73 | PDE5A (0.31) | — | |
| SCHEMBL12738142 | 0.71 | — | — | |
| SCHEMBL4379724 | 0.71 | MGLL (0.38) | — | |
| SCHEMBL31554340 | 0.71 | MGLL (0.38) | — | |
| SCHEMBL4379722 | 0.71 | MGLL (0.38) | — | |
| SCHEMBL358401 | 0.70 | — | — | |
| SCHEMBL9536327 | 0.68 | — | — | |
| SCHEMBL17591768 | 0.67 | — | — | |
| SCHEMBL5429342 | 0.67 | — | — |
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-0695295-A1 | 3-(HETERO)ARYL CARBOXYLIC ACID DERIVATIVES, METHODS OF PREPARING THEM AND INTERMEDIATES USED IN THEIR PREPARATION | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-07 | — | — | EP | disclosed |