⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6156821 | 1.00 | — | — | |
| Ether SCHEMBL11247091 | 0.89 | ASGR1 (0.30) | — | |
| SCHEMBL9558914 | 0.81 | — | — | |
| SCHEMBL31140188 | 0.79 | TSHR (0.42) | — | |
| SCHEMBL606692 | 0.78 | AKR1B1 (0.33) | — | |
| SCHEMBL6160340 | 0.76 | — | — | |
| SCHEMBL28177931 | 0.76 | — | — | |
| SCHEMBL11160573 | 0.74 | GPR84 (0.39) | — | |
| SCHEMBL6241835 | 0.69 | — | — | |
| SCHEMBL4884144 | 0.68 | TSHR (0.39) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0023794-B1 | SOLVENT COMPOSITION, METHOD OF INHIBITING THE DECOMPOSITION OF 1,1,1-TRICHLOROETHANE AND METHOD OF DEGREASING ARTICLES | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1983-03-09 | — | — | EP | claimed |
| EP-1212285-B1 | METHOD OF PRODUCING 2-HYDROXYCARBOXYLIC ACID ESTERS | ABBOTT GMBH & CO KG (DE) | 2005-02-02 | — | — | EP | disclosed |
| EP-1212285-A1 | METHOD OF PRODUCING 2-HYDROXYCARBOXYLIC ACID ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 2002-06-12 | — | — | EP | disclosed |
| WO-2001019774-A1 | METHOD OF PRODUCING 2-HYDROXYCARBOXYLIC ACID ESTERS | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-22 | — | — | WO | disclosed |