SCHEMBL4454495

SCHEMBL4454495

CCCCC(C)=S

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
SCHEMBL10515156 0.90
SCHEMBL13042283 0.88 CES2 (0.50)
SCHEMBL8591202 0.88 CES2 (0.50)
SCHEMBL19235245 0.88 CES2 (0.50)
SCHEMBL7131904 0.88 CES2 (0.50)
SCHEMBL25832925 0.88
SCHEMBL4922684 0.88 CES2 (0.50)
SCHEMBL20146048 0.88 CES2 (0.50)
SCHEMBL8980084 0.88 CES2 (0.50)
SCHEMBL23655387 0.81 CES2 (0.44)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
US-10730963-B2 Aqueous dispersion of an oxazoline group-containing polymer BASF SE (DE) 2020-08-04 US disclosed
WO-2020143800-A1 LIVER-SPECIFIC AMPK AGONIST, PREPARATION METHOD THEREFOR AND USES THEREOF 凯思凯迪(上海)医药科技有限公司 2020-07-16 WO disclosed
US-20200123280-A1 AQUEOUS DISPERSION OF AN OXAZOLINE GROUP-CONTAINING POLYMER BASF SE (DE) 2020-04-23 US disclosed
US-20110020298-A1 COLLAGEN-BINDING SYNTHETIC PEPTIDOGLYCANS, PREPARATION, AND METHODS OF USE PURDUE RESEARCH FOUNDATION 2011-01-27 US disclosed
EP-1524289-B1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2009-09-16 EP disclosed
US-20070149639-A1 Polymerizable composition, optical material comprising the composition and method for producing the material HORIKOSHI HIROSHI 2007-06-28 US disclosed
EP-1524289-A1 POLYMERIZABLE COMPOSITION, OPTICAL MATERIAL COMPRISING THE COMPOSITION AND METHOD FOR PRODUCING THE MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2005-04-20 EP disclosed
US-20040254258-A1 Polymerizable composition, optical material comprising the composition and method for producing the material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2004-12-16 US disclosed
EP-0513580-B1 Alpha-phenyl-acrylic acid derivatives, process for their preparation and their use as parasiticides and fungicides BASF AG (DE) 1996-10-23 EP disclosed
US-5416068-A Alpha-phenylacrylic acid derivatives, their preparation and their use for controlling pests and harmful fungi BASF AKTIENGESELLSCHAFT (DE) 1995-05-16 US disclosed
US-5298527-A Insecticides BASF AKTIENGESELLSCHAFT (DE) 1994-03-29 US disclosed
EP-0513580-A2 Alpha-phenyl-acrylic acid derivatives, process for their preparation and their use as parasiticides and fungicides BASF Aktiengesellschaft (DE) 1992-11-19 EP disclosed