⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4763079 | 1.00 | — | — | |
| SCHEMBL4763081 | 1.00 | — | — | |
| SCHEMBL8115125 | 0.73 | — | — | |
| SCHEMBL4221772 | 0.73 | — | — | |
| SCHEMBL9847665 | 0.73 | — | — | |
| SCHEMBL4221767 | 0.73 | — | — | |
| SCHEMBL8115129 | 0.73 | — | — | |
| SCHEMBL12228012 | 0.73 | — | — | |
| SCHEMBL8049669 | 0.73 | — | — | |
| SCHEMBL2077695 | 0.71 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0023726-B1 | 2,5-DISUBSTITUTED-3 SUBSTITUTED METHYL-PENTA-2,4-DIENOIC ACID AND DERIVATIVES AND PROCESS FOR THEIR PREPARATION | BEECHAM GROUP PLC (GB) | 1982-05-19 | — | — | EP | disclosed |
| US-4282373-A | Process for preparation of thiophenes | BEECHAM GROUP LIMITED (GB) | 1981-08-04 | — | — | US | disclosed |
| US-4252976-A | Process for the preparation of thiophenes | BEECHAM GROUP LIMITED (DE) | 1981-02-24 | — | — | US | disclosed |
| EP-0023726-A1 | 2,5-disubstituted-3 substituted methyl-penta-2,4-dienoic acid and derivatives and process for their preparation | BEECHAM GROUP PLC (GB) | 1981-02-11 | — | — | EP | disclosed |
| EP-0000633-A2 | Process for the preparation of alpha-substituted-thien-3-ylacetic acid and derivatives thereof | BEECHAM GROUP PLC (GB) | 1979-02-07 | — | — | EP | disclosed |