⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7103708 | 0.82 | CYP1A2 (0.33) | — | |
| SCHEMBL11654959 | 0.76 | — | — | |
| SCHEMBL7766341 | 0.67 | — | — | |
| Isopropyl Alcohol SCHEMBL9131852 | 0.67 | ALDH1A1 (0.38) | — | |
| Isopropyl Alcohol SCHEMBL9580332 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL35603 | 0.66 | — | — | |
| SCHEMBL1401735 | 0.65 | — | — | |
| SCHEMBL1444906 | 0.65 | — | — | |
| SCHEMBL18663428 | 0.65 | CYP1A2 (0.32) | — | |
| Isopropyl Alcohol SCHEMBL819479 | 0.65 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114618348-A | Equipment and process for preparing cement grinding aid from waste liquid generated in caprolactam refining process | 山东辰磊建材科技有限公司 | 2022-06-14 | — | — | CN | claimed |
| US-6133405-A | CREPE PAPER COATINGS | HERCULES INCORPORATED (US) | 2000-10-17 | — | — | US | claimed |
| EP-1021396-A1 | POLYALKANOLAMIDE TACKIFYING RESINS FOR CREPING ADHESIVES | HERCULES INCORPORATED (US) | 2000-07-26 | — | — | EP | claimed |
| WO-1999002486-A1 | POLYALKANOLAMIDE TACKIFYING RESINS FOR CREPING ADHESIVES | HERCULES INCORPORATED (US) | 1999-01-21 | — | — | WO | claimed |
| CN-114618348-A | Equipment and process for preparing cement grinding aid from waste liquid generated in caprolactam refining process | 山东辰磊建材科技有限公司 | 2022-06-14 | — | — | CN | disclosed |
| CN-114315207-A | Igneous rock mineral material for railway concrete and preparation method thereof | 中国铁道科学研究院集团有限公司铁道建筑研究所 | 2022-04-12 | — | — | CN | disclosed |
| US-20140194589-A1 | WATER-DISPERSIBLE AMPHOTERIC POLYURETHANE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN REINFORCING CONCRETE | JIANGSU RESEARCH INSTITUTE OF BUILDING SCIENCE CO. LTD (CN) | 2014-07-10 | — | — | US | disclosed |
| EP-2730595-A1 | WATER-DISPERSIBLE AMPHOTERIC POLYURETHANE, PREPARATION METHOD THEREFOR, AND USE THEREOF IN REINFORCING CONCRETE | Jiangsu Sobute New Materials Co., Ltd. (CN) | 2014-05-14 | — | — | EP | disclosed |
| EP-1423344-B1 | Process for making MICRO-GRANULOSE PARTICULATES and composition comprising said MICRO-GRANULOSE PARTICULATES | GRACE W R & CO (US) | 2013-10-09 | — | — | EP | disclosed |
| EP-1423344-A4 | MICRO-GRANULOSE PARTICULATES | GRACE W R & CO (US) | 2009-01-28 | — | — | EP | disclosed |
| EP-1423344-A1 | MICRO-GRANULOSE PARTICULATES | W.R. Grace & Co.-Conn. (US) | 2004-06-02 | — | — | EP | disclosed |
| US-6648962-B2 | Mixing hydratable cementitious binder and water to obtain a slurry, allowing to harden and comminuting into particles with diameters of 5-6 centimeters | W. R. GRACE & CO.-CONN. | 2003-11-18 | — | — | US | disclosed |
| US-20030089281-A1 | Micro-granulose particulates | W.R. GRACE & CO.-CONN. | 2003-05-15 | — | — | US | disclosed |
| WO-2003022773-A1 | MICRO-GRANULOSE PARTICULATES | W.R. GRACE & CO.-CONN. (US) | 2003-03-20 | — | — | WO | disclosed |
| US-4166889-A | POLYETHERURETHANES, COLORFAST | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 1979-09-04 | — | — | US | disclosed |