⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1120435 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL27616014 | 0.74 | SOS1 (0.52) | — | |
| Hydrochloric Acid SCHEMBL3881741 | 0.74 | SOS1 (0.52) | — | |
| Iodide SCHEMBL22031615 | 0.74 | SOS1 (0.52) | — | |
| Hydrochloric Acid SCHEMBL1992388 | 0.74 | SOS1 (0.52) | — | |
| SCHEMBL24175908 | 0.72 | — | — | |
| SCHEMBL1157614 | 0.72 | SOS1 (0.50) | — | |
| SCHEMBL29488154 | 0.72 | — | — | |
| SCHEMBL13770606 | 0.72 | — | — | |
| SCHEMBL29269172 | 0.70 | — | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111454425-A | Isocyanatosilanes with thiocarbamate Structure | 科思创德国股份有限公司 | 2020-07-28 | — | — | CN | disclosed |
| US-10703746-B2 | Mutant IDH1 inhibitors useful for treating cancer | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2020-07-07 | — | — | US | disclosed |
| CN-107108565-B | The N- pyridine yl acetamide derivatives of inhibitor as WNT signal transmission approach | 莱德克斯制药公共有限公司 | 2019-08-23 | — | — | CN | disclosed |
| CN-106795157-B | The N- pyridine yl acetamide derivatives of inhibitor as Wnt signal transmission approach | 莱德克斯制药公共有限公司 | 2019-07-23 | — | — | CN | disclosed |
| CN-106573881-B | Method for producing xylylene diisocyanates in the gas phase | 科思创德国股份有限公司 | 2019-07-16 | — | — | CN | disclosed |
| CN-109422865-A | A kind of preparation method of polyurethane resin and its obtained polyurethane resin | 科思创德国股份有限公司 | 2019-03-05 | — | — | CN | disclosed |
| CN-104379623-B | Sunproof polyurethane composition | 科思创德国股份有限公司 | 2018-09-21 | — | — | CN | disclosed |
| US-20180186787-A1 | PHARMACEUTICAL COMPOUND | MERCK SHARP & DOHME CORP. (US) | 2018-07-05 | — | — | US | disclosed |
| CN-104364675-B | Sunproof polyurethane composition | 科思创德国股份有限公司 | 2018-06-12 | — | — | CN | disclosed |
| CN-107573483-A | Curable composition, polythiourethane and its application for polythiourethane | 科思创聚合物（中国）有限公司 | 2018-01-12 | — | — | CN | disclosed |
| CN-107108565-A | The N pyridine yl acetamide derivatives of the inhibitor of approach are transmitted as WNT signals | 莱德克斯制药公共有限公司 | 2017-08-29 | — | — | CN | disclosed |
| CN-106795157-A | As the N pyridine yl acetamide derivatives of the inhibitor of Wnt signals transmission approach | 莱德克斯制药公共有限公司 | 2017-05-31 | — | — | CN | disclosed |
| CN-106573881-A | Method for producing xylylene diisocyanates in the gas phase | 科思创德国股份有限公司 | 2017-04-19 | — | — | CN | disclosed |
| CN-106414538-A | Composition for producing transparent polythiourethane bodies | 科思创德国股份有限公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-104379623-A | Lightfast polyurethane compositions | BAYER MATERIALSCIENCE AG | 2015-02-25 | — | — | CN | disclosed |
| CN-104364675-A | Lightfast polyurethane composition | BAYER MATERIALSCIENCE AG | 2015-02-18 | — | — | CN | disclosed |
| EP-0789062-B1 | WATER-ABSORBENT RESIN DISPERSION AND POLYURETHANE COMPOSITION | SANYO CHEMICAL IND LTD (JP) | 2003-01-22 | — | — | EP | disclosed |
| US-5994421-A | CROSSLINKING | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 1999-11-30 | — | — | US | disclosed |
| EP-0789062-A1 | WATER-ABSORBENT RESIN DISPERSION AND POLYURETHANE COMPOSITION | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 1997-08-13 | — | — | EP | disclosed |