SCHEMBL8422293

SCHEMBL8422293

C(OCC1CO1)C1CO1.OC(O)CCCCCCC1CO1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
ALDH1A1 P00352 5/20 0.42
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
MAPK1 P28482 1/20 0.36
ENPP2 Q13822 1/20 0.32
LPAR2 Q9HBW0 1/20 0.32
SPHK2 Q9NRA0 5/20 0.31
SPHK1 Q9NYA1 5/20 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
SCHEMBL8422370 0.98 TSHR (0.45) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL7935354 0.93 TSHR (0.47) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL7931730 0.85 TSHR (0.45) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL1002078 0.84 ALDH1A1 (0.61) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL37927 0.82 ALDH1A1 (0.58) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL28090239 0.82 ALDH1A1 (0.58) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
Methane SCHEMBL28018349 0.81 ALDH1A1 (0.56) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
SCHEMBL20595266 0.80 ALDH1A1 (0.60) TSHRALDH1A1TDP1SMN1; SMN2MAPK1
1,6-Hexanediol SCHEMBL28268562 0.79 ALDH1A1 (0.54) TSHRALDH1A1TDP1SMN1; SMN2
SCHEMBL525459 0.79 ALDH1A1 (0.42) TSHRALDH1A1TDP1SMN1; SMN2ENPP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11390769-B2 Ink jet printing method, primer ink composition, and ink jet ink composition SEIKO EPSON CORPORATION 2022-07-19 US disclosed
EP-3762438-A1 BIOCIDAL COATING MATERIAL AND ASSOCIATED PRODUCTION PROCESS El Kudsi, Karim (DE) 2021-01-13 EP disclosed
US-20200377750-A1 Ink Jet Printing Method, Primer Ink Composition, And Ink Jet Ink Composition SEIKO EPSON CORPORATION (JP) 2020-12-03 US disclosed
WO-2019170653-A1 BIOCIDAL COATING MATERIAL AND ASSOCIATED PRODUCTION PROCESS EL KUDSI KARIM (DE) 2019-09-12 WO disclosed
US-5977286-A Amine-modified epoxy resin reacted with polyisocyanate VIANOVA RESINS GMBH (DE) 1999-11-02 US disclosed