SCHEMBL423938

SCHEMBL423938

CCC(CCC(C)[O])C(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
SCHEMBL10385536 0.77 TRPM8 (0.33)
SCHEMBL2879507 0.74
SCHEMBL19506691 0.74
SCHEMBL22961560 0.74
SCHEMBL4619606 0.74
SCHEMBL4400623 0.74
SCHEMBL28129649 0.73
SCHEMBL83532 0.73
SCHEMBL22221939 0.72
SCHEMBL22414209 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039740-B1 METHOD FOR PREPARATION OF CYANO COMPOUNDS OF THE 13TH GROUP WITH A LEWIS ACID LONZA AG (CH) 2016-11-09 EP disclosed
WO-2016162400-A1 METHOD FOR PREPARATION OF CYANO COMPOUNDS OF BORON WITH A BRONSTEDT ACID LONZA LTD (CH) 2016-10-13 WO disclosed
EP-3078668-A1 METHOD FOR PREPARATION OF FLUORO CYANO COMPOUNDS OF THE 15TH GROUP WITH A BRONSTEDT ACID Lonza Ltd (CH) 2016-10-12 EP disclosed
US-9458180-B2 Method for preparation of cyano compounds of the 13th group with a lewis acid LONZA LTD. (CH) 2016-10-04 US disclosed
US-20160229874-A1 Method for Preparation of Cyano Compounds of the 13th Group with a Lewis Acid LONZA LTD. (CH) 2016-08-11 US disclosed
EP-3039740-A1 METHOD FOR PREPARATION OF CYANO COMPOUNDS OF THE 13TH GROUP WITH A LEWIS ACID Lonza Ltd (CH) 2016-07-06 EP disclosed
WO-2015067405-A1 METHOD FOR PREPARATION OF CYANO COMPOUNDS OF THE 13TH GROUP WITH A LEWIS ACID LONZA LTD (CH) 2015-05-14 WO disclosed
WO-2015067404-A1 METHOD FOR PREPARATION OF FLUORO CYANO COMPOUNDS OF THE 15TH GROUP WITH A LEWIS ACID LONZA LTD (CH) 2015-05-14 WO disclosed
WO-2014167035-A1 METHOD FOR PREPARATION OF FLUORO AND CHLORO CYANO COMPOUNDS OF THE 15TH GROUP LONZA LTD (CH) 2014-10-16 WO disclosed
WO-2014167034-A2 FLUORO AND CHLORO CYANO COMPOUNDS OF THE 15TH GROUP LONZA LTD (CH) 2014-10-16 WO disclosed
US-4351768-A CARBONLESS, DUPLICATION, INDOLE DYES STERLING DRUG INC. (US) 1982-09-28 US disclosed
US-4322352-A Indolyl phthalide compounds STERLING DRUG INC. (US) 1982-03-30 US disclosed
US-4307018-A CHROMOGENS FOR COPYING SYSTEMS STERLING DRUG INC. (US) 1981-12-22 US disclosed
US-4255577-A Process and intermediates for preparing 3-[4-(disubstituted-amino)phenyl] or STERLING DRUG INC. (US) 1981-03-10 US disclosed
US-4251092-A COATED WITH A 3-HETERO-3-(DIPHENYLAMINO)PHTHALIDES COLOR FORMER STERLING DRUG INC. (US) 1981-02-17 US disclosed
US-4200313-A Carbonless duplicating systems STERLING DRUG INC. (US) 1980-04-29 US disclosed
US-4189171-A PRESSURE SENSITIVE, THERMAL AND HECTOGRAPHIC SYSTEMS STERLING DRUG INC. (US) 1980-02-19 US disclosed
US-4187223-A 3-[4-(Disubstituted-amino)phenyl]-3-(diphenylamino)phthalides STERLING DRUG INC. (US) 1980-02-05 US disclosed
US-4182714-A CARBONLESS COLORING DUPLICATING STERLING DRUG INC. (US) 1980-01-08 US disclosed
US-4168378-A THERMOGRAPHY, LEUCO DYES STERLING DRUG INC. (US) 1979-09-18 US disclosed