SCHEMBL378171

SCHEMBL378171

[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
SCHEMBL28399333 0.83
SCHEMBL387047 0.81 OPRM1 (0.39)
SCHEMBL3174994 0.81
SCHEMBL4448677 0.78 DNM1 (0.36)
SCHEMBL8171362 0.74
SCHEMBL12475355 0.73
SCHEMBL1705389 0.71
SCHEMBL464424 0.71
SCHEMBL6157665 0.71
SCHEMBL4606903 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021038637-A1 NOVEL VITAMIN A DERIVATIVE AND METHOD FOR PRODUCING SAME リファインホールディングス株式会社 2021-03-04 WO disclosed
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
EP-2502938-A2 Antibodies and immunoconjugates and uses therefor Genentech, Inc. (US) 2012-09-26 EP 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-5621133-A PREPARING A 1-(3,4-DIALKOXYPHENYL),3-HYDROXYALKANE(C6-C12) BY EPOXIDIZING A HALO DERIVATIVE WITH A BASE FOLLOWED BY DECYCLICIZING WITH AN ORGANOMETALLIC COMPOUND IN A SOLVENT; NAPHTHYLENES, ISOCHROMENES AND ISOTHIOCHROMENES DENINNO MICHAEL P (US) 1997-04-15 US disclosed
US-5591884-A PROTECTED HYDROXYALKYLCATECHOL INTERMEDIATES ABBOTT LABORATORIES (US) 1997-01-07 US disclosed
WO-1996038435-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1996-12-05 WO disclosed
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP disclosed
EP-0474767-A4 DOPAMINE AGONISTS 1992-07-08 EP disclosed
EP-0474767-A1 DOPAMINE AGONISTS. ABBOTT LAB (US) 1992-03-18 EP disclosed
US-4994486-A Neurological disorders ABBOTT LABORATORIES (US) 1991-02-19 US disclosed
WO-1990015056-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1990-12-13 WO disclosed