SCHEMBL445768

SCHEMBL445768

[C]#CC(C)CO

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
SCHEMBL3398479 0.72 TSHR (0.47)
SCHEMBL24468 0.69
SCHEMBL5153240 0.67
SCHEMBL18468 0.67
SCHEMBL9495970 0.67
SCHEMBL563144 0.67
SCHEMBL1521337 0.67
SCHEMBL121010 0.67
SCHEMBL17691250 0.67
SCHEMBL4987647 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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895571-B2 Isoindolinone and pyrrolopyridinone derivatives as Akt inhibitors INCYTE CORPORATION (US) 2014-11-25 US claimed
EP-2013171-B1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER S DISEASE MERCK SHARP & DOHME (GB) 2013-05-15 EP claimed
WO-2013056015-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 WO claimed
US-20130096144-A1 ISOINDOLINONE AND PYRROLOPYRIDINONE DERIVATIVES AS AKT INHIBITORS INCYTE CORPORATION (US) 2013-04-18 US claimed
US-8389547-B2 Piperidines and related compounds for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2013-03-05 US claimed
US-20100048623-A1 PIPERIDINES AND RELATED COMPOUNDS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME LLC 2010-02-25 US claimed
EP-2013171-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER S DISEASE Merck Sharp &amp; Dohme Limited (GB) 2009-01-14 EP claimed
WO-2007125364-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2007-11-08 WO claimed
WO-2023068881-A1 ARYL OR HETEROARYL DERIVATIVE, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS ACTIVE INGREDIENT FOR PREVENTION OR TREATMENT OF KINASE-RELATED DISEASES 주식회사 보로노이바이오 2023-04-27 WO disclosed
EP-2606035-B1 PROCES FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - PORTELA & CA S A (PT) 2017-09-06 EP disclosed
US-9458111-B2 Process for the synthesis of substituted urea compounds BIAL—PORTELA & CA, S.A. (PT) 2016-10-04 US disclosed
US-9353082-B2 Pharmaceutical compounds BIAL—PORTELA & CA, S.A. (PT) 2016-05-31 US disclosed
US-20150197503-A1 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL PORTELA & Cª S A (PT) 2015-07-16 US disclosed
EP-2882712-A2 PROCESS FOR THE SYNTHESIS OF SUBSTITUTED UREA COMPOUNDS BIAL - Portela & Cª S.A. (PT) 2015-06-17 EP disclosed
WO-2008030391-A2 DIFLUORINATED PIPERIDINES FOR TREATMENT OF ALZHEIMER'S DISEASE AND RELATED CONDITIONS MERCK & CO., INC. (US) 2008-03-13 WO disclosed
WO-2007125364-A1 PIPERIDINES AND RELATED COMPOUNDS FOR TREATMENT OF ALZHEIMER’S DISEASE MERCK SHARP & DOHME LIMITED (GB) 2007-11-08 WO disclosed
EP-1103300-B1 ULTRAVIOLET IRRADIATION APPARATUS FOR PHOTOCHEMICAL REACTION AND METHOD FOR PREPARING VITAMIN D DERIVATIVE USING THE SAME CHUGAI PHARMACEUTICAL CO LTD (JP) 2007-01-03 EP disclosed
US-6902654-B2 Ultraviolet irradiation apparatus for photochemical reaction and preparation process of vitamin D derivative making use of the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2005-06-07 US disclosed
US-20040108198-A1 Ultraviolet irradiation apparatus for photochemical reaction and preparation process of vitamin D derivative making use of the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-06-10 US disclosed
EP-1103300-A1 ULTRAVIOLET IRRADIATION APPARATUS FOR PHOTOCHEMICAL REACTION AND METHOD FOR PREPARING VITAMIN D DERIVATIVE USING THE SAME CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-05-30 EP disclosed