⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7629237 | 0.94 | — | — | |
| SCHEMBL1334687 | 0.73 | — | — | |
| SCHEMBL8459028 | 0.72 | — | — | |
| SCHEMBL10414450 | 0.67 | — | — | |
| SCHEMBL8413461 | 0.66 | — | — | |
| SCHEMBL238978 | 0.65 | — | — | |
| SCHEMBL4945634 | 0.64 | — | — | |
| SCHEMBL8416767 | 0.64 | — | — | |
| SCHEMBL1358657 | 0.64 | ALDH1A1 (0.34) | — | |
| SCHEMBL3875145 | 0.64 | — | — |
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-111108130-B | Has the advantages ofcontaining-CH2-SiMe3Hybrid catalysts of partially unbridged hafnocenes | 埃克森美孚化学专利公司 | 2022-06-28 | — | — | CN | disclosed |
| CN-111108130-A | Has the advantages ofcontaining-CH2-SiMe3Hybrid catalysts of partially unbridged hafnocenes | 埃克森美孚化学专利公司 | 2020-05-05 | — | — | CN | disclosed |
| EP-1230285-B1 | POLYESTER POWDER COATING COMPOSITIONS BASED ON 1,3-PROPANEDIOL | SHELL INT RESEARCH (NL) | 2006-05-17 | — | — | EP | disclosed |
| US-6441087-B1 | PRODUCED BY REACTING A POLYOL, AND A POLYISOCYANATE CROSSLINKING AGENT, WHEREIN THE POLYOL IS SUBSTITUTED WITH 2-50% BY WEIGHT OF A POLYTRIMETHYLENE CARBONATE DIOL OR TRIOL | SHELL OIL COMPANY | 2002-08-27 | — | — | US | disclosed |
| EP-1230285-A1 | POLYESTER POWDER COATING COMPOSITIONS BASED ON 1,3-PROPANEDIOL | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2002-08-14 | — | — | EP | disclosed |
| EP-1230286-A1 | ACRYLIC POLYURETHANE COATING COMPOSITIONS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2002-08-14 | — | — | EP | disclosed |
| WO-2001029107-A1 | POLYESTER POWDER COATING COMPOSITIONS BASED ON 1,3-PROPANEDIOL | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2001-04-26 | — | — | WO | disclosed |
| WO-2001029108-A1 | ACRYLIC POLYURETHANE COATING COMPOSITIONS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2001-04-26 | — | — | WO | disclosed |
| US-5705548-A | AROMATIC DICYANATE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1998-01-06 | — | — | US | disclosed |
| EP-0781821-A2 | Polyester powder coating composition | SUMITOMO CHEMICAL COMPANY LIMITED (JP) | 1997-07-02 | — | — | EP | disclosed |