⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13925137 | 0.85 | TDP1 (0.30) | — | |
| SCHEMBL556820 | 0.79 | — | — | |
| SCHEMBL10898973 | 0.74 | HSD17B10 (0.30) | — | |
| SCHEMBL12966249 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL341697 | 0.72 | — | — | |
| SCHEMBL9430178 | 0.71 | — | — | |
| SCHEMBL19444792 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL342458 | 0.70 | — | — | |
| SCHEMBL15266380 | 0.70 | TP53 (0.34) | — | |
| SCHEMBL15884089 | 0.69 | TDP1 (0.30) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0266690-B1 | METHOD FOR THE PRODUCTION OF 2,2-DISUBSTITUTED 3-CHLORPROPIONIC ACID ESTERS | BASF Aktiengesellschaft (DE) | 1992-02-05 | — | — | EP | disclosed |
| US-4837357-A | Preparation of 2,2-disubstituted 3-chloropropionic esters | BASF AKTIENGESELLSCHAFT (DE) | 1989-06-06 | — | — | US | disclosed |
| EP-0266690-A2 | Method for the production of 2,2-disubstituted 3-chlorpropionic acid esters | BASF Aktiengesellschaft (DE) | 1988-05-11 | — | — | EP | disclosed |
| EP-0129774-B1 | PROCESS FOR THE PREPARATION OF ALDOLS | BASF Aktiengesellschaft (DE) | 1986-09-10 | — | — | EP | disclosed |
| US-4552985-A | Preparation of aldols | BASF AKTIENGESELLSCHAFT (DE) | 1985-11-12 | — | — | US | disclosed |
| EP-0129774-A1 | Process for the preparation of aldols | BASF Aktiengesellschaft (DE) | 1985-01-02 | — | — | EP | disclosed |