SCHEMBL679142

SCHEMBL679142

CCCCC(C)C(C)(C)c1ccccc1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 1/20 0.46
ATM Q13315 2/20 0.38
GAA P10253 1/20 0.38
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.35
GCGR P47871 1/20 0.35
CNR2 P34972 2/20 0.33
CNR1 P21554 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
IKBKB O14920 1/20 0.33
PRSS1 P07477 1/20 0.33
CTSG P08311 1/20 0.33
CTRB1 P17538 1/20 0.33
CMA1 P23946 1/20 0.33

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
SCHEMBL5994442 0.82 TSHR (0.52) TSHRALDH1A1TDP1L3MBTL1LMNA
SCHEMBL11213618 0.80 GAA (0.41) ALDH1A1TDP1ATMGAAXBP1
Acetaldehyde SCHEMBL11761069 0.76 TSHR (0.39) TSHRALDH1A1TDP1ATMGAA
SCHEMBL980190 0.75 TSHR (0.52) TSHRALDH1A1TDP1CNR2CNR1
SCHEMBL6057016 0.75 POLB (0.38) ALDH1A1POLBCNR2PRSS1CTSG
SCHEMBL982114 0.75 TSHR (0.45) TSHRALDH1A1TDP1ATMGAA
SCHEMBL9240568 0.75 CYP1A2 (0.37) TSHRALDH1A1POLBCNR2PRSS1
Pentane SCHEMBL27743488 0.74 ALDH1A1 (0.75) TSHRALDH1A1TDP1ATMGAA
Hexane SCHEMBL27260332 0.74 ALDH1A1 (0.75) TSHRALDH1A1TDP1ATMGAA
SCHEMBL31276457 0.74 ALDH1A1 (0.60) TSHRALDH1A1TDP1ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11840617-B2 Stabilizer composition, vinyl chloride resin composition containing same, and article molded therefrom ADEKA CORPORATION (JP) 2023-12-12 US disclosed
EP-2599830-B2 VINYL-CHLORIDE-BASED RESIN COMPOSITION FOR TRANSPARENT PRODUCT ADEKA CORP (JP) 2022-09-28 EP disclosed
US-20220017721-A1 STABILIZING AGENT COMPOSITION, VINYL CHLORIDE RESIN COMPOSITION CONTAINING SAME AND MOLDED BODY THEREOF ADEKA CORPORATION (JP) 2022-01-20 US disclosed
EP-3922699-A1 STABILIZING AGENT COMPOSITION, VINYL CHLORIDE RESIN COMPOSITION CONTAINING SAME AND MOLDED BODY THEREOF ADEKA CORPORATION (JP) 2021-12-15 EP disclosed
EP-3747976-A1 STABILIZER COMPOSITION, VINYL CHLORIDE RESIN COMPOSITION CONTAINING SAME, AND ARTICLE MOLDED THEREFROM ADEKA CORPORATION (JP) 2020-12-09 EP disclosed
US-20200362145-A1 STABILIZER COMPOSITION, VINYL CHLORIDE RESIN COMPOSITION CONTAINING SAME, AND ARTICLE MOLDED THEREFROM ADEKA CORPORATION (JP) 2020-11-19 US disclosed
EP-2407510-B1 VINYL CHLORIDE RESIN COMPOSITION ADEKA CORP (JP) 2016-12-21 EP disclosed
EP-2599830-B1 VINYL-CHLORIDE-BASED RESIN COMPOSITION FOR TRANSPARENT PRODUCT ADEKA CORP (JP) 2016-10-19 EP disclosed
EP-2607423-B1 VINYL CHLORIDE RESIN COMPOSITION ADEKA CORP (JP) 2016-07-20 EP disclosed
US-9187615-B2 Vinyl chloride resin composition ADEKA CORPORATION (JP) 2015-11-17 US disclosed
EP-2392618-B1 VINYL CHLORIDE RESIN COMPOSITION ADEKA CORP (JP) 2015-01-21 EP disclosed
US-8841371-B2 Vinyl chloride resin composition ADEKA CORPORATION (JP) 2014-09-23 US disclosed
EP-2607423-A1 VINYL CHLORIDE RESIN COMPOSITION Adeka Corporation (JP) 2013-06-26 EP disclosed
US-20130150513-A1 VINYL CHLORIDE RESIN COMPOSITION ADEKA CORPORATION (JP) 2013-06-13 US disclosed
EP-2599830-A1 VINYL-CHLORIDE-BASED RESIN COMPOSITION FOR TRANSPARENT PRODUCT Adeka Corporation (JP) 2013-06-05 EP disclosed
US-20130131227-A1 VINYL-CHLORIDE-BASED RESIN COMPOSITION FOR TRANSPARENT PRODUCT ADEKA CORPORATION (JP) 2013-05-23 US disclosed
EP-2407510-A1 VINYL CHLORIDE RESIN COMPOSITION Adeka Corporation (JP) 2012-01-18 EP disclosed
US-20110319537-A1 VINYL CHLORIDE RESIN COMPOSITION ADEKA CORPORATION (JP) 2011-12-29 US disclosed
EP-2392618-A1 VINYL CHLORIDE RESIN COMPOSITION Adeka Corporation (JP) 2011-12-07 EP disclosed
US-20110288218-A1 VINYL CHLORIDE RESIN COMPOSITION ADEKA CORPORATION (JP) 2011-11-24 US disclosed