⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9634584 | 0.89 | BTN3A1 (0.34) | — | |
| SCHEMBL11547905 | 0.78 | BTN3A1 (0.31) | — | |
| SCHEMBL11792822 | 0.74 | LPAR3 (0.56) | — | |
| SCHEMBL19940080 | 0.70 | BTN3A1 (0.35) | — | |
| SCHEMBL11322973 | 0.69 | BTN3A1 (0.38) | — | |
| SCHEMBL9564304 | 0.68 | LMNA (0.38) | — | |
| SCHEMBL19940097 | 0.67 | CYP3A4 (0.38) | — | |
| SCHEMBL29257161 | 0.67 | BTN3A1 (0.50) | — | |
| SCHEMBL19940093 | 0.66 | CYP3A4 (0.36) | — | |
| SCHEMBL19940089 | 0.66 | BTN3A1 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5091434-A | Mixing and spraying a polyisocyanate, an ethylenediamine-alkylene oxide polyol, a halogenated hydrocarbon blowing agent and water | ASAHI GLASS COMPANY LTD. (JP) | 1992-02-25 | — | — | US | disclosed |
| EP-0422247-A1 | POLYOL COMPOSITION AND METHOD OF PRODUCING RIGID POLYURETHANE FOAM THEREFROM | ASAHI GLASS COMPANY LTD. (JP) | 1991-04-17 | — | — | EP | disclosed |