SCHEMBL3038801

SCHEMBL3038801

CC[C@@H]1CCCC[C@@H]1O

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
SCHEMBL14161812 1.00
SCHEMBL11967081 1.00
SCHEMBL3038803 1.00
SCHEMBL16995166 1.00
SCHEMBL43179 1.00
SCHEMBL13973916 1.00
SCHEMBL12127053 1.00
SCHEMBL1110014 0.97 CA1 (0.62)
SCHEMBL4847323 0.97 CA1 (0.62)
SCHEMBL17124636 0.94

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 WO disclosed
US-11174264-B2 TYK2 inhibitors and uses thereof NIMBUS LAKSHMI, INC. (US) 2021-11-16 US disclosed
US-20200231594-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-07-23 US disclosed
WO-2019070742-A1 APOPTOSIS SIGNAL-REGULATING KINASE 1 (ASK 1) INHIBITOR COMPOUNDS SIDECAR THERAPEUTICS, INC. (US) 2019-04-11 WO disclosed
US-20170283424-A1 PYRAZOLOPYRIMIDINE JAK INHIBITOR COMPOUNDS AND METHODS GENENTECH, INC. (US) 2017-10-05 US disclosed
WO-2017133517-A1 PHOSPHAMIDE DERIVATIVE, METHOD FOR MANUFACTURING THE SAME, AND USES THEREOF 四川海思科制药有限公司 2017-08-10 WO disclosed
US-20160168090-A1 NOVEL INDOLE DERIVATIVES AND THEIR USE IN NEURODEGENERATIVE DISEASES MERCK PATENT GMBH (DE) 2016-06-16 US disclosed
US-7695801-B2 Optical systems and refractive index-matching compositions AVAGO TECHNOLOGIES FIBER IP (SINGAPORE) PTE. LTD. (SG) 2010-04-13 US disclosed
US-20050170146-A1 Optical systems and refractive index-matching compositions AVAGO TECHNOLOGIES GENERAL IP (SINGAPORE) PTE. LTD. (SG) 2005-08-04 US disclosed
US-6890619-B2 Optical systems and refractive index-matching compositions AGILENT TECHNOLOGIES, INC. (US) 2005-05-10 US disclosed
EP-1381593-A2 (2-HYDROXY)ETHYL-THIOUREAS USEFUL AS MODULATORS OF ALPHA2B ADRENERGIC RECEPTORS Allergan, Inc. (US) 2004-01-21 EP disclosed
US-6534542-B2 For alleviating chronic pain and allodynia and have no or only minimal cardivascular and/or sedatory activity ALLERGEN SALES, INC. 2003-03-18 US disclosed
US-20020161051-A1 (2-hydroxy)ethyl-thioureas useful as modulators of alpha2B adrenergic receptors ALLERGAN SALES, INC. 2002-10-31 US disclosed
WO-2002068384-A2 (2-HYDROXY)ETHYL-THIOUREAS USEFUL AS MODULATORS OF ALPHA2B ADRENERGIC RECEPTORS ALLERGAN, INC. (US) 2002-09-06 WO disclosed