SCHEMBL439777

SCHEMBL439777

C=C/[C]=C\c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.50
MAOB P27338 3/20 0.38
CYP2A6 P11509 1/20 0.38
LMNA P02545 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP19A1 P11511 2/20 0.33
MAOA P21397 2/20 0.33
NFE2L2 Q16236 1/20 0.32
TRPA1 O75762 1/20 0.32
ALOX5 P09917 1/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 2/20 0.31
AKT1 P31749 1/20 0.31
HDAC3 O15379 1/20 0.31
TNKS O95271 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31

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
SCHEMBL6374501 1.00 ALDH1A1 (0.50) ALDH1A1TSHRMAOBCYP2A6LMNA
SCHEMBL3907718 1.00 ALDH1A1 (0.50) ALDH1A1TSHRMAOBCYP2A6LMNA
SCHEMBL3215000 0.74 ALDH1A1 (0.50) ALDH1A1TSHRMAOBCYP2A6LMNA
SCHEMBL8892833 0.74 ALDH1A1 (0.50) ALDH1A1TSHRMAOBCYP2A6LMNA
SCHEMBL370016 0.72
SCHEMBL397997 0.72 MAOB (0.48) ALDH1A1MAOBLMNAMEN1KMT2A
SCHEMBL366631 0.71 ALDH1A1 (0.45) ALDH1A1TSHRMAOBCYP2A6LMNA
SCHEMBL5948500 0.70 ALDH1A1 (0.35) ALDH1A1TSHRMAOBCYP2A6LMNA
Ammonia Solution, Strong SCHEMBL9795266 0.69 ALDH1A1 (0.43) ALDH1A1TSHRMAOBCYP2A6LMNA
SCHEMBL5574093 0.69 APP (0.36) ALDH1A1TSHRMAOBCYP2A6LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078367-A1 SECONDARY BATTERY 珠海冠宇电池股份有限公司 2023-05-11 WO claimed
CN-114094102-A Secondary battery 珠海冠宇电池股份有限公司 2022-02-25 CN claimed
WO-2023078367-A1 SECONDARY BATTERY 珠海冠宇电池股份有限公司 2023-05-11 WO disclosed
CN-114094102-A Secondary battery 珠海冠宇电池股份有限公司 2022-02-25 CN disclosed
EP-1756192-B1 PARTICULATE MATERIALS EXILICA LTD (GB) 2014-07-02 EP disclosed
EP-2562148-A2 Particulate polymer materials Exilica Limited (GB) 2013-02-27 EP disclosed
US-20120064348-A1 Particulate materials LYNCH DANIEL ERIC (GB) 2012-03-15 US disclosed
US-8084533-B2 addition-condensation copolymer of 1-methylpyrrol and squaraine, use as a support with hollow silica shells for an active agent Diclofenac Sodium salt; reservoirs or encapsulating agents; pyrolysis of a glass-coated polymer EXILICA LIMITED (GB) 2011-12-27 US disclosed
US-20080188611-A1 Particulate Materials COVENTRY UNIVERSITY (GB) 2008-08-07 US disclosed
CN-1954011-A Particulate materials UNIV COVENTRY (GB) 2007-04-25 CN disclosed
EP-1756192-A1 PARTICULATE MATERIALS COVENTRY UNIVERSITY (GB) 2007-02-28 EP disclosed
WO-2005105885-A1 PARTICULATE MATERIALS COVENTRY UNIVERSITY (GB) 2005-11-10 WO disclosed
EP-1542869-A2 MOLECULAR SCALE ELECTRONIC DEVICES Yale University (US) 2005-06-22 EP disclosed
EP-1542869-A4 MOLECULAR SCALE ELECTRONIC DEVICES UNIV YALE (US) 2005-06-22 EP disclosed
US-6756605-B1 Molecular scale electronic devices YALE UNIVERSITY 2004-06-29 US disclosed
WO-2001027972-A9 MOLECULAR SCALE ELECTRONIC DEVICES UNIV YALE (US) 2002-11-14 WO disclosed
WO-2001027972-A2 MOLECULAR SCALE ELECTRONIC DEVICES YALE UNIVERSITY (US) 2001-04-19 WO disclosed