⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14320336 | 0.84 | HSD17B10 (0.32) | — | |
| SCHEMBL26525417 | 0.81 | SPHK1 (0.39) | — | |
| Ether SCHEMBL27722784 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL26525420 | 0.77 | SPHK1 (0.50) | — | |
| SCHEMBL9753617 | 0.77 | HSD17B10 (0.31) | — | |
| SCHEMBL4182526 | 0.75 | TSHR (0.41) | — | |
| SCHEMBL6897340 | 0.75 | — | — | |
| SCHEMBL7679243 | 0.72 | — | — | |
| Ether SCHEMBL1631518 | 0.72 | SPHK1 (0.36) | — | |
| SCHEMBL14661540 | 0.72 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108699204-A | Polyisocyanate composition, coating composition, water-based coating composition, and coated substrate | 旭化成株式会社 | 2018-10-23 | — | — | CN | disclosed |
| CN-102781996-A | Method for producing polyurethane hard foam materials | BASF SE | 2012-11-14 | — | — | CN | disclosed |
| CN-102781997-A | Method for producing polyurethanes | BASF SE | 2012-11-14 | — | — | CN | disclosed |
| US-20090297779-A1 | POLYURETHANE FOAM ARTICLE | DOW GLOBAL TECHNOLOGIES LLC | 2009-12-03 | — | — | US | disclosed |
| EP-1903072-B1 | Integral skin polyurethane Foam Article | DOW GLOBAL TECHNOLOGIES INC (US) | 2009-08-26 | — | — | EP | disclosed |
| WO-2008034884-A2 | INTEGRAL SKIN POLYURETHANE FOAM ARTICLE | DOW GLOBAL TECHNOLOGIES INC. (US) | 2008-03-27 | — | — | WO | disclosed |
| EP-1903072-A1 | Integral skin polyurethane Foam Article | Dow Gloval Technologies Inc. (US) | 2008-03-26 | — | — | EP | disclosed |
| EP-0057884-B2 | PROCESS FOR THE PREPARATION OF PERMETHYLATED OLIGOMERIC AMINES AND ALKANOL AMINES | BASF Aktiengesellschaft (DE) | 1992-04-15 | — | — | EP | disclosed |
| EP-0300323-B1 | PROCESS FOR THE PREPARATION OF ALIPHATIC N,N-DIALKYL SUBSTITUTED AMINOALCOHOLS | BASF Aktiengesellschaft (DE) | 1992-03-04 | — | — | EP | disclosed |
| EP-0057884-A2 | Process for the preparation of permethylated oligomeric amines and alkanol amines | BASF Aktiengesellschaft (DE) | 1982-08-18 | — | — | EP | disclosed |