SCHEMBL3661818

SCHEMBL3661818

CC(C)CCl

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
SCHEMBL23367 1.00
Ammonia Solution, Strong SCHEMBL9220696 0.95
Hydrochloric Acid SCHEMBL28407312 0.95
Phosphine SCHEMBL11142736 0.95
SCHEMBL3681629 0.95
SCHEMBL29088079 0.95
SCHEMBL114354 0.95
SCHEMBL12487242 0.95
Methyl Alcohol SCHEMBL10493997 0.91
SCHEMBL11762135 0.91

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906296-A1 PROCESS FOR THE PREPARATION OF CHIRAL KETO-HETEROCYCLES OF BASIC AMINO ACIDS WARNER-LAMBERT COMPANY LLC (US) 1999-04-07 EP claimed
WO-1997048687-A1 PROCESS FOR THE PREPARATION OF CHIRAL KETO-HETEROCYCLES OF BASIC AMINO ACIDS WARNER-LAMBERT COMPANY (US) 1997-12-24 WO claimed
WO-2014002109-A1 SUBSTITUTED TETRAZOLE COMPOUNDS AND PROCESS THEREOF RALLIS INDIA LIMITED (IN) 2014-01-03 WO disclosed
CN-102933578-A Cyanoquinoline derivatives TIANJIN HEMAY BIO TECH CO LTD 2013-02-13 CN disclosed
EP-2209790-A2 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS Janssen Pharmaceutica, N.V. (BE) 2010-07-28 EP disclosed
WO-2009062990-A2 EQUILIBRATIVE NUCLEOSIDE TRANSPORTER ENT1 INHIBITORS JANSSEN PHARMACEUTICA NV (BE) 2009-05-22 WO disclosed
EP-1751127-A2 NOVEL CYLOPENTA¬B|BENZOFURAN DERIVATIVES AND THE UTILIZATION THEREOF Bayer HealthCare AG (DE) 2007-02-14 EP disclosed
WO-2005113529-A2 NOVEL CYLOPENTA[B]BENZOFURAN DERIVATIVES AND THE UTILIZATION THEREOF BAYER HEALTHCARE AG (DE) 2005-12-01 WO disclosed
WO-2004113290-A1 SUBSTITUTED ALKYLAMIDES BAYER HEALTHCARE AG (DE) 2004-12-29 WO disclosed
EP-1067894-A4 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORP (US) 2004-09-08 EP disclosed
US-6579663-B2 Chemical intermediates such as lithium 2,6-dimethylbenzoyl phenylphosphine for preparation of acylphosphines, acylphosphine oxides or acylphosphine sulfides CIBA SPECIALTY CHEMICALS CORPORATION 2003-06-17 US disclosed
WO-1994014840-A1 ACYCLIC PEPTIDE ANALOGS OF THE ATRIAL NATRIURETIC PEPTIDE, PROCESS FOR PRODUCING THE SAME AND THEIR USE BAYER AKTIENGESELLSCHAFT (DE) 1994-07-07 WO disclosed
EP-0569457-A1 USE OF THIAZOLO- 2,3-A]ISOINDOLE DERIVATIVES AS ANTIVIRAL MEDICAMENTS AND NOVEL THIAZOLO- 2,3-A]ISOINDOLE DERIVATIVES. BOEHRINGER MANNHEIM GMBH (DE) 1993-11-18 EP disclosed
EP-0269389-B1 PEPTIDES RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1992-09-30 EP disclosed
WO-1992004348-A1 N-SUBSTITUTED CYCLOALKYL AND POLYCYCLOAKYL POLYHYDRO-Β-CARBOLINE-PHENYLALANINE-AND PHENETHYLAMINE DERIVATIVES WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed
US-5041535-A Anticarcinogenic agents RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1991-08-20 US disclosed
EP-0399291-A2 Substituted (Quinoline-2-yl-methoxy)phenyl-acyl-sulphonamides and cyanamides , process for their preparation and their use in medicines BAYER AG (DE) 1990-11-28 EP disclosed
EP-0377896-A2 Cyclooxygenase and 5-lipoxygenase inhibiting hydroxamic acid derivatives CIBA-GEIGY AG (CH) 1990-07-18 EP disclosed
EP-0269389-A2 Peptides RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1988-06-01 EP disclosed
EP-0236872-A2 Hydroxyl amine derivatives, their preparation and use as medicaments F. HOFFMANN-LA ROCHE AG (CH) 1987-09-16 EP disclosed