SCHEMBL12147347

SCHEMBL12147347

CC(C)C1=C(C(C)C)OCO1

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
SCHEMBL12148568 0.82
SCHEMBL12147343 0.79
SCHEMBL18812104 0.76
SCHEMBL10020964 0.76
SCHEMBL12147346 0.73 PIK3CD (0.31)
SCHEMBL19010106 0.71 SMN1; SMN2 (0.36)
SCHEMBL16715417 0.70
SCHEMBL15114817 0.65
SCHEMBL9912001 0.63
SCHEMBL9672256 0.57

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230257390-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE AND THEIR USE LIEBER INSTITUTE, INC. 2023-08-17 US disclosed
US-20230257390-A1 COMPOUNDS WHICH INHIBIT RNA POLYMERASE AND THEIR USE LIEBER INSTITUTE, INC. 2023-08-17 US disclosed
US-20230227420-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF EMPATHBIO, INC. 2023-07-20 US disclosed
US-20230227420-A1 PRODRUGS OF MDMA, MDA, AND DERIVATIVES THEREOF EMPATHBIO, INC. 2023-07-20 US disclosed
US-11639347-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2023-05-02 US disclosed
US-20210355114-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2021-11-18 US disclosed
US-20190210991-A1 PROCESS OF PRODUCING CYCLOALKYLCARBOXAMIDO-INDOLE COMPOUNDS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-11 US disclosed
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 US disclosed
US-9675593-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2017-06-13 US disclosed
US-9656974-B2 Oxazine derivatives SHIONOGI & CO., LTD. (JP) 2017-05-23 US disclosed
US-8334236-B2 Ring-fused 2-pyridone derivatives and herbicides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2012-12-18 US disclosed
US-20120258961-A1 4-AMINO-1,3-THIAZINE OR OXAZINE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-10-11 US disclosed
US-20110287937-A1 RING-FUSED 2-PYRIDONE DERIVATIVES AND HERBICIDES IHARA CHEMICAL INDUSTRY CO., LTD. (JP) 2011-11-24 US disclosed
US-20110257177-A1 BENZYLTHIOTETRAZOLE INHIBITORS OF STORE OPERATED CALCIUM RELEASE CALCIMEDICA, INC. (US) 2011-10-20 US disclosed
US-20110071206-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-24 US disclosed
US-20100197674-A1 OXOPYRAZINE DERIVATIVE AND HERBICIDE KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 2010-08-05 US disclosed
US-20090156589-A1 1,2-DI(CYCLIC GROUP)SUBSTITUTED BENZENE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-18 US disclosed
US-20090098181-A1 TRIAZOLOPYRIDAZINES AS KINASE MODULATORS JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-16 US disclosed
US-7514446-B2 Pyrimidine compounds SMITHKLINE BEECHAM CORPORATION (US) 2009-04-07 US disclosed
US-20070010668-A1 Pyrimidine compounds NOVARTIS INTERNATIONAL PHARMACEUTICAL LTD. (BM) 2007-01-11 US disclosed