⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8399557 | 0.69 | — | — | |
| SCHEMBL14463963 | 0.68 | — | — | |
| SCHEMBL1425937 | 0.66 | — | — | |
| SCHEMBL3675643 | 0.65 | — | — | |
| SCHEMBL16623935 | 0.65 | POLB (0.31) | — | |
| SCHEMBL7968779 | 0.61 | — | — | |
| SCHEMBL6785204 | 0.60 | — | — | |
| SCHEMBL8403001 | 0.60 | POLB (0.31) | — | |
| SCHEMBL2138400 | 0.60 | — | — | |
| SCHEMBL10139368 | 0.60 | — | — |
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-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 |
| EP-0860421-A1 | PROCESS FOR PRODUCING CYCLIC UNSATURATED ALDEHYDES | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1998-08-26 | — | — | EP | disclosed |