SCHEMBL8422370

SCHEMBL8422370

C(OCC1CO1)C1CO1.OC(O)CCCCC1CO1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
ALDH1A1 P00352 6/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.38
MAPK1 P28482 1/20 0.37
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
ENPP2 Q13822 1/20 0.30
LPAR2 Q9HBW0 1/20 0.30

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
SCHEMBL8422293 0.98 TSHR (0.44) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL7935354 0.94 TSHR (0.47) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL7931730 0.86 TSHR (0.45) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL37927 0.84 ALDH1A1 (0.58) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL28090239 0.84 ALDH1A1 (0.58) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
Methane SCHEMBL28018349 0.82 ALDH1A1 (0.56) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL1002078 0.82 ALDH1A1 (0.61) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
SCHEMBL20595266 0.81 ALDH1A1 (0.60) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
Propylene Oxide SCHEMBL8468509 0.80 ALDH1A1 (0.53) TSHRALDH1A1SMN1; SMN2TDP1MAPK1
Ethylene Glycol SCHEMBL28953527 0.80 ALDH1A1 (0.53) TSHRALDH1A1SMN1; SMN2TDP1MAPK1

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 6 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
WO-2021043349-A1 HYDROGEL BASED ON CROSSLINKED HYDROXYPHENYL DERIVATIVE OF HYALURONIC ACID CONTIPRO A.S. (CZ) 2021-03-11 WO 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
CN-101827616-A Absorbent composite with improved fluid wicking and web integrity KIMBERLY CLARK CO 2010-09-08 CN disclosed
US-5977286-A Amine-modified epoxy resin reacted with polyisocyanate VIANOVA RESINS GMBH (DE) 1999-11-02 US disclosed
US-4426492-A Disposable, hydrogel soft contact lenses PLASTOMEDICAL SCIENCES, INC. (US) 1984-01-17 US disclosed