⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11301048 | 0.82 | — | — | |
| SCHEMBL11296947 | 0.75 | — | — | |
| SCHEMBL11302943 | 0.73 | — | — | |
| SCHEMBL7279532 | 0.72 | — | — | |
| SCHEMBL38651262 | 0.72 | — | — | |
| SCHEMBL6220625 | 0.71 | — | — | |
| SCHEMBL11297780 | 0.71 | — | — | |
| SCHEMBL12821940 | 0.70 | — | — | |
| SCHEMBL11294684 | 0.69 | — | — | |
| SCHEMBL11294510 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0011279-B1 | PROCESS FOR THE PREPARATION OF AROMATICALLY SUBSTITUTED ACETIC ACIDS | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1982-05-05 | — | — | EP | disclosed |
| US-4268442-A | REACTING AN AROMATIC ALKEHYDE WITH A TRIHALOMETHANE AND AN ALKANETHIOL IN THE PRESENCE OF A BASE AND AN APROTIC SOLVENT | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1981-05-19 | — | — | US | disclosed |
| EP-0011279-A1 | Process for the preparation of aromatically substituted acetic acids | SAGAMI CHEMICAL RESEARCH CENTER (JP) | 1980-05-28 | — | — | EP | disclosed |