SCHEMBL104836

SCHEMBL104836

CC(C)NC1(C)CCCCC1

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL14011249 1.00
SCHEMBL104132 0.97
SCHEMBL12037552 0.91
SCHEMBL436990 0.88
SCHEMBL11456146 0.81
SCHEMBL13622549 0.80
SCHEMBL13622550 0.80
SCHEMBL7533125 0.79
SCHEMBL19347272 0.78
SCHEMBL13622545 0.78

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 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230130516-A1 1H-PYRAZOLO[4,3-d]PYRIMIDINE COMPOUNDS AS TOLL-LIKE RECEPTOR 7 (TLR7) AGONISTS BRISTOL-MYERS SQUIBB COMPANY 2023-04-27 US disclosed
US-20220213107-A1 TERTIARY ALCOHOLS AS PI3K-y INHIBITORS INCYTE CORPORATION 2022-07-07 US disclosed
US-8334378-B2 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-12-18 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-8119602-B2 Administration of HCV protease inhibitors in combination with food to improve bioavailability SCHERING CORPORATION (US) 2012-02-21 US disclosed
US-20100291034-A1 COMBINATIONS OF HCV PROTEASE INHIBITOR(S) AND CYP3A4 INHIBITOR(S), AND METHODS OF TREATMENT RELATED THERETO SCHERING CORPORATION (US) 2010-11-18 US disclosed
US-7772178-B2 Pharmaceutical formulations and methods of treatment using the same SCHERING CORPORATION (US) 2010-08-10 US disclosed
US-20100145041-A1 Thiazolyl-dihydro-quinazoline compounds and processes for preparing same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-06-10 US disclosed
US-7691868-B2 N-{8-[2-chloro-5-(3-methylamino-prop-1-ynyl)-phenyl]-4,5-dihydro-thiazolo[4,5-h]quinazolin-2-yl}-acetamide; PI3-kinase modulators for the treatment of inflammatory or allergic diseases BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-06 US disclosed
US-20070258947-A1 Depeptidized Inhibitors of Hepatitis C Virus NS3 Protease SCHERING CORPORATION 2007-11-08 US disclosed
US-20070244104-A1 THIAZOLYL-DIHYDRO-QUINAZOLINE BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-18 US disclosed
US-20070237818-A1 Controlled-release formulation of HCV protease inhibitor and methods using the same SCHERING CORPORATION 2007-10-11 US disclosed
US-20070232527-A1 Medicaments and methods combining a HCV protease inhibitor and an AKR competitor SCHERING CORPORATION 2007-10-04 US disclosed
US-20070207949-A1 Medicaments and methods combining a HCV protease inhibitor and an AKR competitor SCHERING CORPORATION 2007-09-06 US disclosed
US-7253160-B2 Depeptidized inhibitors of hepatitis C virus NS3 protease SCHERING CORPORATION (US) 2007-08-07 US disclosed
US-20070021351-A1 Liver/plasma concentration ratio for dosing hepatitis C virus protease inhibitor SCHERING CORPORATION 2007-01-25 US disclosed
US-20070010431-A1 Pharmaceutical formulations and methods of treatment using the same SCHERING CORPORATION 2007-01-11 US disclosed
US-20070004635-A1 Method of treating interferon non-responders using HCV protease inhibitor SCHERING CORPORATION 2007-01-04 US disclosed
US-4049661-A FIBER-REACTIVE CIBA-GEIGY AG (CH) 1977-09-20 US disclosed