⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24533698 | 0.91 | MMP1 (0.32) | — | |
| SCHEMBL13911750 | 0.77 | — | — | |
| SCHEMBL21173640 | 0.77 | TP53 (0.42) | — | |
| SCHEMBL1778617 | 0.77 | — | — | |
| SCHEMBL140867 | 0.74 | — | — | |
| Bicarbonate SCHEMBL28442958 | 0.74 | TSHR (0.48) | — | |
| SCHEMBL28337793 | 0.74 | TP53 (0.40) | — | |
| SCHEMBL140866 | 0.74 | — | — | |
| SCHEMBL1764859 | 0.74 | — | — | |
| SCHEMBL27447426 | 0.74 | TP53 (0.40) | — |
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-0163435-B1 | PREPARATION OF 2-CHLOROPROPIONIC ACID ESTERS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-10-26 | — | — | EP | claimed |
| EP-0163435-A2 | Preparation of 2-chloropropionic acid esters | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-12-04 | — | — | EP | claimed |
| WO-2022047008-A1 | HSP90-BINDING CONJUGATES AND FORMULATIONS THEREOF | TARVEDA THERAPEUTICS, INC. (US) | 2022-03-03 | — | — | WO | disclosed |
| EP-0163435-B1 | PREPARATION OF 2-CHLOROPROPIONIC ACID ESTERS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1988-10-26 | — | — | EP | disclosed |
| EP-0163435-A2 | Preparation of 2-chloropropionic acid esters | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1985-12-04 | — | — | EP | disclosed |
| US-3932448-A | FUNGICIDES, MITICIDES | E. I. DU PONT DE NEMOURS & COMPANY (US) | 1976-01-13 | — | — | US | disclosed |