⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9435890 | 0.80 | CYP3A4 (0.48) | — | |
| SCHEMBL14719798 | 0.76 | — | — | |
| SCHEMBL6429741 | 0.76 | — | — | |
| SCHEMBL2659946 | 0.74 | CYP3A4 (0.44) | — | |
| SCHEMBL3257965 | 0.74 | CYP3A4 (0.39) | — | |
| SCHEMBL14214710 | 0.74 | CYP3A4 (0.36) | — | |
| SCHEMBL16360618 | 0.73 | — | — | |
| SCHEMBL9435882 | 0.73 | CYP3A4 (0.38) | — | |
| SCHEMBL997518 | 0.72 | — | — | |
| SCHEMBL47912 | 0.72 | CYP3A4 (0.45) | — |
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-0653415-B1 | (Aryl-[1'-(aryl)-alkyl]-methylidene)- or (aryl-[1'(aryl)alkyl]-methyl)-dicarboxylic acid alkyl ester or their thiocarboxylic acid esters, process for their preparation and their use | THIEMANN ARZNEIMITTEL GMBH (DE) | 1998-06-24 | — | — | EP | claimed |