⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4432105 | 0.78 | CYP2C19 (0.38) | — | |
| SCHEMBL4365089 | 0.75 | — | — | |
| SCHEMBL2844606 | 0.75 | — | — | |
| SCHEMBL4366675 | 0.72 | — | — | |
| SCHEMBL8385992 | 0.70 | — | — | |
| SCHEMBL1976670 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL11442514 | 0.69 | HTT (0.31) | — | |
| SCHEMBL9117358 | 0.68 | — | — | |
| SCHEMBL207064 | 0.67 | — | — | |
| SCHEMBL4376935 | 0.67 | THRB (0.33) | — |
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-0348793-B1 | PROCESS FOR THE PREPARATION OF KETONES | BASF Aktiengesellschaft (DE) | 1993-09-22 | — | — | EP | disclosed |
| EP-0348793-A2 | Process for the preparation of ketones | BASF Aktiengesellschaft (DE) | 1990-01-03 | — | — | EP | disclosed |