⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1666631 | 0.74 | — | — | |
| SCHEMBL28950857 | 0.72 | — | — | |
| SCHEMBL4128963 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL28964657 | 0.68 | — | — | |
| SCHEMBL3292719 | 0.68 | KDM1A (0.36) | — | |
| SCHEMBL14039973 | 0.62 | — | — | |
| SCHEMBL15334438 | 0.62 | — | — | |
| SCHEMBL23360785 | 0.62 | — | — | |
| SCHEMBL3523959 | 0.59 | — | — | |
| SCHEMBL19036013 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6322892-B1 | A) AN EPOXY GROUP-CONTAINING COMPOUND AND OPTIONALLY AN OXETANE COMPOUND; B) A MODIFIED DIMETHYLSILICONE OIL; C) A CATION-POLYMERIZATION INITIATOR WHICH FORMS A CATION BY IRRADIATION OR BY HEATING. | KANSAI PAINT CO., LTD. (JP) | 2001-11-27 | — | — | US | claimed |
| EP-0345073-A1 | Poly (3-(Substituted)-3(Hydroxymethyl) oxetane) and method of preparing same | ARIZONA BOARD OF REGENTS (US) | 1989-12-06 | — | — | EP | disclosed |
| EP-0345074-A1 | High molecular weight polymers and copolymers of 3-hydroxyoxetane and derivatives thereof. | ARIZONA BOARD OF REGENTS (US) | 1989-12-06 | — | — | EP | disclosed |