⚠ 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 | |
|---|---|---|---|---|
| Thiourea SCHEMBL27351654 | 0.73 | — | — | |
| Thiourea SCHEMBL28064431 | 0.73 | — | — | |
| Thiourea SCHEMBL27818418 | 0.70 | — | — | |
| Thiourea SCHEMBL10634208 | 0.70 | — | — | |
| Thiourea SCHEMBL29733545 | 0.68 | — | — | |
| Thiourea SCHEMBL30315852 | 0.68 | — | — | |
| Thiourea SCHEMBL27764145 | 0.68 | — | — | |
| Thiourea SCHEMBL8741992 | 0.67 | — | — | |
| Thiourea SCHEMBL10602981 | 0.67 | — | — | |
| Thiocyanic Acid SCHEMBL5823496 | 0.67 | — | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0848004-B1 | PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2003-04-02 | — | — | EP | claimed |
| US-4059590-A | FUNGICIDE, OVICIDE, INSECTICIDE, HERBICIDE | CHEVRON RESEARCH COMPANY (US) | 1977-11-22 | — | — | US | claimed |
| CN-108358866-B | Preparation method of febuxostat intermediate and application of febuxostat intermediate in preparation of febuxostat | 江西同和药业股份有限公司 | 2021-03-23 | — | — | CN | disclosed |
| CN-108358866-A | A kind of preparation method of Febustat intermediate and its application in preparing Febustat | 江西同和药业股份有限公司 | 2018-08-03 | — | — | CN | disclosed |
| EP-2556856-A1 | 6-Cyano-substituted Pyrido[2,3-d]pyrimidines as Adenosin Rezeptor Ligands for the Treatment of Cardiovascular Diseases | Bayer Intellectual Property GmbH (DE) | 2013-02-13 | — | — | EP | disclosed |
| EP-2556831-A1 | 3,4-Dihydro-4-oxo-5-aryl-pyrido[2,3-d]pyrimidine-6-carbonitriles as Adenosin Receptor Ligands for Treatment of Cardiovascular Diseases | Bayer Intellectual Property GmbH (DE) | 2013-02-13 | — | — | EP | disclosed |
| US-20110046162-A1 | FUSED CYANOPYRIDINES AND THE USE THEREOF | Bayer Schering Pharma (DE) | 2011-02-24 | — | — | US | disclosed |
| US-20110046162-A1 | FUSED CYANOPYRIDINES AND THE USE THEREOF | Bayer Schering Pharma (DE) | 2011-02-24 | — | — | US | disclosed |
| WO-2009080198-A1 | FUSED CYNOPRYRIDINES AND THE USE THEREOF | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-07-02 | — | — | WO | disclosed |
| EP-0848004-B1 | PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY | SHIONOGI & CO (JP) | 2003-04-02 | — | — | EP | disclosed |
| US-6335325-B1 | CROP PROTECTION | BAYER AKTIENGESELLSCHAFT (DE) | 2002-01-01 | — | — | US | disclosed |
| US-5969150-A | FLUORESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS, DRUGS AND LABELS OR FUNGICIDES AND VIRICIDES | THE ROCKEFELLER UNIVERSITY (US) | 1999-10-19 | — | — | US | disclosed |
| US-5955616-A | PROSTAGLANDIN INHIBITORS | SHIONOGI & CO., LTD. (JP) | 1999-09-21 | — | — | US | disclosed |
| EP-0848004-A1 | PYRROLIDINE DERIVATIVES HAVING PHOSPHOLIPASE A2 INHIBITORY ACTIVITY | SHIONOGI & CO., LTD. (JP) | 1998-06-17 | — | — | EP | disclosed |
| US-4119722-A | Method for control of fungi using 4-halo-5-aryl-1,2,3,-dithiazoles | CHEVRON RESEARCH COMPANY (US) | 1978-10-10 | — | — | US | disclosed |
| US-4119722-A | Method for control of fungi using 4-halo-5-aryl-1,2,3,-dithiazoles | CHEVRON RESEARCH COMPANY (US) | 1978-10-10 | — | — | US | disclosed |
| US-4059590-A | FUNGICIDE, OVICIDE, INSECTICIDE, HERBICIDE | CHEVRON RESEARCH COMPANY (US) | 1977-11-22 | — | — | US | disclosed |
| US-4059590-A | FUNGICIDE, OVICIDE, INSECTICIDE, HERBICIDE | CHEVRON RESEARCH COMPANY (US) | 1977-11-22 | — | — | US | disclosed |