SCHEMBL378172

SCHEMBL378172

C#CC(CC)CCC

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
SCHEMBL16287681 0.88
SCHEMBL231722 0.83
SCHEMBL10685835 0.81 OPRM1 (0.39)
SCHEMBL2105534 0.81
SCHEMBL7717461 0.78
SCHEMBL29283628 0.78
SCHEMBL30202941 0.78
SCHEMBL1016315 0.78
SCHEMBL4448679 0.78 DNM1 (0.36)
SCHEMBL28162402 0.78 TRPM8 (0.30)

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-2722051-B1 Monomethylvaline compounds having phenylalanine side-chain modifications at the C-terminus SEATTLE GENETICS INC (US) 2018-11-07 EP disclosed
EP-2845866-B1 Antibodies and immunoconjugates and uses therefor GENENTECH INC (US) 2017-05-03 EP disclosed
EP-1917020-B1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS INC (US) 2016-05-25 EP disclosed
EP-2447282-B1 Anti-CD22 Antibodies, their Immunoconjugates and uses thereof GENENTECH INC (US) 2016-01-27 EP disclosed
EP-2353611-B1 Drug conjugates and their use for treating cancer, an autoimmune disease or an infectious disease SEATTLE GENETICS INC (US) 2015-05-13 EP disclosed
EP-2446904-B1 Anti-CD22 antibodies, their immunoconjugates and uses thereof GENENTECH INC (US) 2015-04-29 EP disclosed
EP-2845866-A1 Antibodies and immunoconjugates and uses therefor Genentech, Inc. (US) 2015-03-11 EP disclosed
EP-2502938-B1 Antibodies and immunoconjugates and uses therefor GENENTECH INC (US) 2015-02-18 EP disclosed
US-20150045409-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-02-12 US disclosed
EP-2813493-A1 AMIDE COMPOUND AND USE THEREOF FOR PEST CONTROL Sumitomo Chemical Company Limited (JP) 2014-12-17 EP disclosed
WO-2008052187-A2 ANTIBODIES AND IMMUNOCONJUGATES AND USES THEREFOR GENENTECH. INC. (US) 2008-05-02 WO disclosed
WO-2007140371-A2 ANTIBODIES AND IMMUNOCONJUGATES AND USES THEREFOR GENENTECH, INC. (US) 2007-12-06 WO disclosed
WO-2007008848-A2 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE CARBOXY MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 WO disclosed
WO-2007008603-A1 MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS SEATTLE GENETICS, INC. (US) 2007-01-18 WO disclosed
EP-1545613-A2 DRUG CONJUGATES AND THEIR USE FOR TREATING CANCER, AN AUTOIMMUNE DISEASE OR AN INFECTIOUS DISEASE Seattle Genetics, Inc. (US) 2005-06-29 EP disclosed
WO-2004010957-A2 DRUG CONJUGATES AND THEIR USE FOR TREATING CANCER, AN AUTOIMMUNE DISEASE OR AN INFECTIOUS DISEASE SEATTLE GENETICS, INC. (US) 2004-02-05 WO disclosed
US-5378680-A Dicarboximides and their use as herbicides BASF AKTIENGESELLSCHAFT (DE) 1995-01-03 US disclosed
US-5176739-A Plant growth regulators BASF AKTIENGESELLSCHAFT (DE) 1993-01-05 US disclosed
US-4867784-A Cyclohexenone derivatives, preparation thereof and use thereof as herbicidal and plant growth regulator agents BASF AKTIENGESELLSCHAFT (DE) 1989-09-19 US disclosed
US-4804654-A INSECTICIDES, MITICIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-02-14 US disclosed