⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8399551 | 0.82 | — | — | |
| SCHEMBL10589577 | 0.74 | — | — | |
| SCHEMBL899228 | 0.68 | — | — | |
| SCHEMBL7877503 | 0.65 | — | — | |
| SCHEMBL31741797 | 0.65 | — | — | |
| SCHEMBL107536 | 0.65 | — | — | |
| SCHEMBL6161167 | 0.63 | — | — | |
| Bromide SCHEMBL6350036 | 0.63 | — | — | |
| Bicarbonate SCHEMBL997095 | 0.62 | MAPK1 (0.32) | — | |
| SCHEMBL2000717 | 0.62 | SLC1A2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5886234-A | USING A SOLID ACID CATALYST TO REACT AN UNSATUREATIED ALDEHYDE E.G. CROTONALDEHYDE, AND A CYCLIC CONJUGATED DIENE, E.G CYCLOPENTADIENE, CYCLOHEXA-1,3-DIENE, IN AN EFFICIENT DIELS-ALDER REACTION | IDEMITSU KOSAN CO., LTD. (JP) | 1999-03-23 | — | — | US | claimed |
| EP-0860421-A1 | PROCESS FOR PRODUCING CYCLIC UNSATURATED ALDEHYDES | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1998-08-26 | — | — | EP | claimed |
| EP-1007515-A1 | ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS | Abbott Laboratories (US) | 2000-06-14 | — | — | EP | disclosed |
| US-5886234-A | USING A SOLID ACID CATALYST TO REACT AN UNSATUREATIED ALDEHYDE E.G. CROTONALDEHYDE, AND A CYCLIC CONJUGATED DIENE, E.G CYCLOPENTADIENE, CYCLOHEXA-1,3-DIENE, IN AN EFFICIENT DIELS-ALDER REACTION | IDEMITSU KOSAN CO., LTD. (JP) | 1999-03-23 | — | — | US | disclosed |
| WO-1999010331-A1 | ARYLPYRIDAZINONES AS PROSTAGLANDIN ENDOPEROXIDE H SYNTHASE BIOSYNTHESIS INHIBITORS | ABBOTT LABORATORIES (US) | 1999-03-04 | — | — | WO | disclosed |
| EP-0860421-A1 | PROCESS FOR PRODUCING CYCLIC UNSATURATED ALDEHYDES | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1998-08-26 | — | — | EP | disclosed |