⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7093989 | 0.69 | — | — | |
| SCHEMBL1232964 | 0.69 | — | — | |
| SCHEMBL11766274 | 0.69 | — | — | |
| SCHEMBL1148877 | 0.67 | — | — | |
| SCHEMBL11766271 | 0.65 | — | — | |
| SCHEMBL10762130 | 0.65 | — | — | |
| SCHEMBL21693748 | 0.65 | — | — | |
| SCHEMBL3840749 | 0.65 | — | — | |
| SCHEMBL11873005 | 0.65 | — | — | |
| SCHEMBL6032822 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5886211-A | Process for producing 2-(halomethyl)phenylacetic acid esters | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1999-03-23 | — | — | US | disclosed |
| EP-0834497-A1 | PROCESS FOR PRODUCING 2-(HALOMETHYL)PHENYLACETIC ACID ESTERS | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1998-04-08 | — | — | EP | disclosed |