⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11453224 | 1.00 | — | — | |
| SCHEMBL4695004 | 1.00 | — | — | |
| SCHEMBL10896656 | 0.95 | CYP1A2 (0.31) | — | |
| SCHEMBL2301263 | 0.93 | CYP1A2 (0.34) | — | |
| SCHEMBL9306373 | 0.93 | CYP1A2 (0.34) | — | |
| SCHEMBL9507258 | 0.93 | CYP1A2 (0.34) | — | |
| SCHEMBL8767515 | 0.93 | CYP1A2 (0.34) | — | |
| SCHEMBL6963646 | 0.93 | CYP1A2 (0.34) | — | |
| SCHEMBL8065378 | 0.90 | — | — | |
| Water SCHEMBL11296031 | 0.87 | — | — |
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-8178703-B2 | Methods for production of polyols from oils and their use in the production of polyesters and polyurethanes | BATTELLE MEMORIAL INSTITUTE (US) | 2012-05-15 | — | — | US | disclosed |
| US-20110237812-A1 | METHODS FOR PRODUCTION OF POLYOLS FROM OILS AND THEIR USE IN THE PRODUCTION OF POLYESTERS AND POLYURETHANES | BATTELLE MEMORIAL INSTITUTE (US) | 2011-09-29 | — | — | US | disclosed |