⚠ 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 | |
|---|---|---|---|---|
| Propene SCHEMBL8924981 | 0.74 | ALDH1A1 (0.54) | — | |
| Butadiene SCHEMBL3329726 | 0.74 | ALDH1A1 (0.54) | — | |
| SCHEMBL11652510 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL17253261 | 0.74 | ALDH1A1 (0.50) | — | |
| Propene SCHEMBL8843123 | 0.74 | ALDH1A1 (0.54) | — | |
| SCHEMBL15951660 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL16589128 | 0.72 | CHRNB2 (0.35) | — | |
| SCHEMBL1104791 | 0.72 | — | — | |
| Vinyl Chloride SCHEMBL11334734 | 0.72 | ALDH1A1 (0.52) | — | |
| SCHEMBL458553 | 0.71 | ALDH1A1 (0.43) | — |
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-0503958-B1 | Heterocyclic compounds and their production | NIPPON PAINT CO LTD (JP) | 1998-09-23 | — | — | EP | disclosed |
| US-5496943-A | USING UNSATURATED ACYLISOCYANATE COMPOUNDS TO FORM OXAZOLINES, PYRANS WITH AMINOCARBONYLHETERO SUBSTITUTION AND GLUTARIMIDE DERIVATIVES AS CHEMICAL INTERMEDIATES | NIPPON PAINT CO., LTD. (JP) | 1996-03-05 | — | — | US | disclosed |
| EP-0503958-A2 | Heterocyclic compounds and their production | Nippon Paint Co., Ltd. (JP) | 1992-09-16 | — | — | EP | disclosed |