⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28530875 | 0.97 | — | — | |
| Acetone SCHEMBL28539007 | 0.87 | CHRM1 (0.33) | — | |
| SCHEMBL10796815 | 0.85 | — | — | |
| SCHEMBL4543524 | 0.84 | DNM1 (0.35) | — | |
| SCHEMBL5444537 | 0.82 | OPRM1 (0.37) | — | |
| SCHEMBL5433349 | 0.80 | ZDHHC7 (0.38) | — | |
| SCHEMBL5452779 | 0.80 | ZDHHC7 (0.38) | — | |
| SCHEMBL11646858 | 0.80 | ZDHHC7 (0.38) | — | |
| SCHEMBL5442898 | 0.80 | ZDHHC7 (0.38) | — | |
| SCHEMBL5449848 | 0.80 | ZDHHC7 (0.38) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2500368-A2 | Catalyst and process for producing a rigid polyurethane foam | Tosoh Corporation (JP) | 2012-09-19 | — | — | EP | disclosed |
| US-20070043132-A1 | Catalyst and process for producing a rigid polyurethane foam | TOSOH CORPORATION (JP) | 2007-02-22 | — | — | US | disclosed |
| US-20040082465-A1 | Catalyst and process for producing a rigid polyurethane foam | TOSOH CORPORATION (JP) | 2004-04-29 | — | — | US | disclosed |
| EP-1382624-A1 | Catalyst and process for producing a rigid polyurethane foam | Tosoh Corporation (JP) | 2004-01-21 | — | — | EP | disclosed |