SCHEMBL722068

SCHEMBL722068

Oc1cccc(C#Cc2ccccc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.59
CA2 P00918 4/20 0.59
CA9 Q16790 4/20 0.59
CA1 P00915 3/20 0.59
FFAR1 O14842 2/20 0.59
APP P05067 1/20 0.57
CA14 Q9ULX7 2/20 0.50
CYP3A4 P08684 2/20 0.50
GRM5 P41594 2/20 0.50
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
CA5A P35218 1/20 0.50
HSD17B10 Q99714 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
HNF4A P41235 1/20 0.50
PTPN11 Q06124 1/20 0.47
GLA P06280 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL30493627 1.00 CA12 (0.59) CA12CA2CA9CA1FFAR1
SCHEMBL718295 0.93 CA12 (0.60) CA12CA2CA9CA1FFAR1
SCHEMBL12289090 0.88 CA12 (0.62) CA12CA2CA9CA1FFAR1
Diphenylacetylene SCHEMBL28319096 0.85 APP (0.71) CA12CA2CA9CA1FFAR1
SCHEMBL4267409 0.83 APP (0.60) CA12CA2CA9CA1FFAR1
SCHEMBL20211704 0.83 APP (0.60) CA12CA2CA9CA1FFAR1
SCHEMBL17616899 0.83 CA12 (0.57) CA12CA2CA9CA1FFAR1
SCHEMBL27952686 0.83 CA12 (0.53) CA12CA2CA9CA1FFAR1
SCHEMBL5572704 0.83 CA12 (0.57) CA12CA2CA9CA1FFAR1
SCHEMBL10809316 0.82 FFAR1 (0.60) CA12CA2CA9CA1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150274886-A1 Crosslinkable Soluble Aromatic Polyester TICONA LLC 2015-10-01 US claimed
US-9145519-B2 Crosslinkable aromatic polyester TICONA LLC (US) 2015-09-29 US claimed
WO-2014047015-A1 CROSSLINKABLE AROMATIC POLYESTER TICONA LLC (US) 2014-03-27 WO claimed
US-20140088247-A1 Crosslinkable Aromatic Polyester TICONA LLC (US) 2014-03-27 US claimed
WO-2009126700-A1 HYDROXYLATED TOLANS AND RELATED COMPOUNDS AS COSMETICS OR THERAPEUTICS FOR SKIN CONDITIONS KENT STATE UNIVERSITY (US) 2009-10-15 WO claimed
US-5741585-A Polyamic acid precursors and methods for preparing higher molecular weight polyamic acids and polyimidebenzoxazole THE DOW CHEMICAL COMPANY (US) 1998-04-21 US claimed
EP-0822954-A1 POLYAMIC ACID PRECURSORS AND METHOD FOR PREPARING POLYIMIDEBENZOXAZOLE THE DOW CHEMICAL COMPANY (US) 1998-02-11 EP claimed
WO-1996034033-A1 POLYAMIC ACID PRECURSORS AND METHOD FOR PREPARING POLYIMIDEBENZOXAZOLE THE DOW CHEMICAL COMPANY (US) 1996-10-31 WO claimed
CN-116425607-A Method for preparing cis-form or trans-form alkene by chromium-catalyzed intermediate alkyne selective hydrogenation 四川大学 2023-07-14 CN disclosed
CN-108884242-B Prepreg product and composite product comprising fibres and a liquid crystalline thermoset precursor 阿罗特罗皮卡科技公司 2021-11-26 CN disclosed
US-11001013-B2 Pre-preg and composite products comprising fibers and a liquid crystal thermoset precursor ALLOTROPICA TECHNOLOGIES INC. (US) 2021-05-11 US disclosed
CN-111233610-A Synthesis method of trans-olefin compound 五邑大学 2020-06-05 CN disclosed
EP-3405513-B1 PRE-PREG AND COMPOSITE PRODUCTS COMPRISING FIBERS AND A LIQUID CRYSTAL THERMOSET PRECURSOR ALLOTROPICA TECH INC (US) 2020-03-18 EP disclosed
US-20190039331-A1 PRE-PREG AND COMPOSITE PRODUCTS COMPRISING FIBERS AND A LIQUID CRYSTAL THERMOSET PRECURSOR ALLOTROPICA TECHNOLOGIES INC. 2019-02-07 US disclosed
US-5470728-A Formation of and dehydration of hydroxylated diphenyl acetylenes using Pseudomonas ATCC 55272 BIO-TECHNICAL RESOURCES (US) 1995-11-28 US disclosed
US-5470728-A Formation of and dehydration of hydroxylated diphenyl acetylenes using Pseudomonas ATCC 55272 BIO-TECHNICAL RESOURCES (US) 1995-11-28 US disclosed
WO-1995030764-A1 FORMATION OF AND DEHYDRATON OF HYDROXYLATED DIPHENYLACETYLENES BIO-TECHNICAL RESOURCES LP (US) 1995-11-16 WO disclosed
US-5420361-A TREATING AN AQUEOUS SOLUTION OF A DIPHENYLACETYLENE DERIVATIVE WITH A BASIC SOLUTION WHILE HEATING BIO-TECHNICAL RESOURCES (US) 1995-05-30 US disclosed
US-5420361-A TREATING AN AQUEOUS SOLUTION OF A DIPHENYLACETYLENE DERIVATIVE WITH A BASIC SOLUTION WHILE HEATING BIO-TECHNICAL RESOURCES (US) 1995-05-30 US disclosed
US-4675370-A Resin systems derived from benzocyclobutene-alkyne imide monomers UNIVERSITY OF DAYTON (US) 1987-06-23 US disclosed