⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1789330 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL5509376 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL12079309 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL5505711 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL27501938 | 0.79 | — | — | |
| SCHEMBL15147846 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL18526917 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL270391 | 0.73 | — | — | |
| SCHEMBL4448690 | 0.73 | — | — | |
| SCHEMBL11890301 | 0.73 | — | — |
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-20120004352-A1 | POLYURETHANE ELASTOMER FIBERS AND PROCESSING AGENT AND METHOD THEREFOR | TAKEMOTO YUSHI KABUSHIKI KAISHA (JP) | 2012-01-05 | — | — | US | disclosed |
| EP-0910351-A1 | PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS | G.D. Searle & Co. (US) | 1999-04-28 | — | — | EP | disclosed |
| WO-1997049387-A1 | PARTICLES COMPRISING AMPHIPHILIC COPOLYMERS, HAVING A CROSS-LINKED SHELL DOMAIN AND AN INTERIOR CORE DOMAIN, USEFUL FOR PHARMACEUTICAL AND OTHER APPLICATIONS | G.D. SEARLE AND CO. (US) | 1997-12-31 | — | — | WO | disclosed |