⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL276604 | 0.78 | — | — | |
| SCHEMBL5069153 | 0.76 | — | — | |
| SCHEMBL1933286 | 0.76 | — | — | |
| SCHEMBL1030176 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL10901865 | 0.74 | ALDH1A1 (0.52) | — | |
| SCHEMBL4605430 | 0.72 | — | — | |
| SCHEMBL20232256 | 0.70 | — | — | |
| SCHEMBL23754688 | 0.70 | ALDH1A1 (0.44) | — | |
| SCHEMBL9588589 | 0.70 | — | — | |
| SCHEMBL13247988 | 0.70 | LMNA (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1033968-A1 | ALPHA CARBOXYLIC ACID (AHA) DERIVATIVES | CECA S.A. (FR) | 2000-09-13 | — | — | EP | disclosed |
| WO-1999056722-A1 | ALPHA CARBOXYLIC ACID (AHA) DERIVATIVES | CECA S.A. (FR) | 1999-11-11 | — | — | WO | disclosed |