SCHEMBL1106961

SCHEMBL1106961

COCC#CC(C)C

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
SCHEMBL15746734 0.80
SCHEMBL13752390 0.76
SCHEMBL25793944 0.76
SCHEMBL8909437 0.74
SCHEMBL867084 0.73
SCHEMBL3227738 0.72
SCHEMBL3098793 0.70
SCHEMBL10176194 0.70 MAPK1 (0.37)
SCHEMBL8908133 0.70
Methoxymethane SCHEMBL10627012 0.70 CHRM2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056570-A1 FUNGICIDES SYNGENTA CROP PROTECTION, INC. (US) 2010-03-04 US claimed
EP-2068632-A1 FUNGICIDES Syngeta Participations AG (CH) 2009-06-17 EP claimed
WO-2008028624-A1 FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-03-13 WO claimed
US-20230295437-A1 SILICON CONTAINING DETECTABLE COMPOUNDS Singular Genomics Systems, Inc. 2023-09-21 US disclosed
US-11760752-B2 Carboxylic acid, acyl sulfonamide and acyl sulfamide-derivatized bicyclic aza-heteroaromatics as selective Mcl-1 inhibitors and as dual Mcl-1/Bcl-2 inhibitors UNIVERSITY OF MARYLAND, BALTIMORE (US) 2023-09-19 US disclosed
US-11697736-B2 Silicon containing detectable compounds Singular Genomics Systems, Inc. (US) 2023-07-11 US disclosed
US-20230142839-A1 N4-phenyl-quinazoline-4 -amine derivatives and related compounds as ErbB type I receptor tyrosine kinase inhibitors for the treatment of hyperproliferative diseases ARRAY BIOPHARMA INC. (US) 2023-05-11 US disclosed
EP-3286186-B1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2020-05-06 EP disclosed
US-20190352508-A1 SILICON CONTAINING DETECTABLE COMPOUNDS FIRST-CITIZENS BANK & TRUST COMPANY 2019-11-21 US disclosed
US-20180110226-A1 PESTICIDALLY ACTIVE POLYCYCLIC DERIVATIVES WITH SULFUR SUBSTITUTED FIVE MEMBERED RING HETEROCYLES SYNGENTA PARTICIPATIONS AG (CH) 2018-04-26 US disclosed
US-9776993-B2 Nitrogen-containing heterocyclic compounds for plant disease control BAYER CROPSCIENCE AG (DE) 2017-10-03 US disclosed
US-20090286772-A1 2-(Phenyl or Heterocyclic)-1H-Phenanthro[9,10-D]Imidazoles MERCK & CO., INC. 2009-11-19 US disclosed
US-20090209571-A1 Phenanthrene derivatives as MPGES-1 inhibitors CELLUMEN INC. 2009-08-20 US disclosed
US-20090192158-A1 Methods for Treating or Preventing Neoplasias MERCK FROSST CANADA LTD. (CA) 2009-07-30 US disclosed
EP-2068632-A1 FUNGICIDES Syngeta Participations AG (CH) 2009-06-17 EP disclosed
US-20090075998-A1 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2009-03-19 US disclosed
US-7442716-B2 2-(phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK FROSST CANADA LTD. (CA) 2008-10-28 US disclosed
WO-2008028624-A1 FUNGICIDES SYNGENTA PARTICIPATIONS AG (CH) 2008-03-13 WO disclosed
US-20070208017-A1 2-(Phenyl or heterocyclic)-1H-phenantrho[9,10-d]imidazoles as mPGES-1 inhibitors MERCK CANADA INC. (CA) 2007-09-06 US disclosed
WO-2007059257-A2 N4-PHENYL-QUINAZ0LINE-4 -AMINE DERIVATIVES AND RELATED COMPOUNDS AS ERBB TYPE I RECEPTOR TYROSINE KINASE INHIBITORS FOR THE TREATMENT OF HYPERPROLIFERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2007-05-24 WO disclosed