⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9303808 | 0.77 | — | — | |
| SCHEMBL9303806 | 0.77 | — | — | |
| SCHEMBL788280 | 0.77 | — | — | |
| SCHEMBL788277 | 0.75 | — | — | |
| SCHEMBL31621134 | 0.71 | — | — | |
| SCHEMBL254231 | 0.68 | — | — | |
| Butane SCHEMBL9793586 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL7637765 | 0.66 | — | — | |
| SCHEMBL30800 | 0.60 | — | — | |
| SCHEMBL5476415 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11214584-B2 | Polyols for preparing flexible polyurethane foam, and preparation method and application thereof | NANJING TECH UNIVERSITY (CN) | 2022-01-04 | — | — | US | disclosed |
| US-20210087211-A1 | Polyols for preparing flexible polyurethane foam, and Preparation Method and Application Thereof | NANJING TECH UNIVERSITY (CN) | 2021-03-25 | — | — | US | disclosed |
| US-4316006-A | Polymeric phosphonates of a cyclic phosphite and epoxide | THE DOW CHEMICAL COMPANY (US) | 1982-02-16 | — | — | US | disclosed |