⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2768658 | 0.88 | — | — | |
| SCHEMBL29166280 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL11433836 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL3040333 | 0.72 | — | — | |
| SCHEMBL2223712 | 0.69 | — | — | |
| SCHEMBL28855716 | 0.67 | — | — | |
| SCHEMBL888469 | 0.67 | — | — | |
| SCHEMBL2771600 | 0.65 | — | — | |
| SCHEMBL991377 | 0.63 | — | — | |
| SCHEMBL11804677 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2003012662-A | OXETANE RING-BEARING 2,2-BIS(4HYDROXYPHENYL) HEXAFLUOROPROPANE DERIVATIVE | TOAGOSEI CO LTD | 2003-01-15 | — | — | JP | disclosed |
| US-4965342-A | BRANCHED, ATACTIC, HIGHLY CRYSTALLINE | ARIZONA BOARD OF REGENTS, ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) | 1990-10-23 | — | — | US | 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 |
| EP-0345073-A1 | Poly (3-(Substituted)-3(Hydroxymethyl) oxetane) and method of preparing same | ARIZONA BOARD OF REGENTS (US) | 1989-12-06 | — | — | EP | disclosed |
| US-4833183-A | FILMS, FIBERS, MOLDING MATERIALS EXPLOSIVES | ARIZONA BOARD OF REGENTS (US) | 1989-05-23 | — | — | US | disclosed |