SCHEMBL6503000

SCHEMBL6503000

CC(OCCOCC1CO1)C(CCC(=O)O)(C(=O)O)C(C)OCCOCC1CO1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPK1 P28482 1/20 0.34

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
SCHEMBL6493227 0.76 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8598367 0.75 CYP1A2 (0.34) ALDH1A1
SCHEMBL727977 0.75 MAPT (0.35) TSHRALDH1A1TDP1
SCHEMBL727974 0.73 PLA2G2C (0.42) TSHRALDH1A1TDP1
SCHEMBL14090788 0.73 TSHR (0.56) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
Acetic Acid SCHEMBL27674601 0.71 TSHR (0.58) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL25906820 0.69 TSHR (0.56) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
Succinic Acid SCHEMBL27818706 0.69 TSHR (0.48) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
Oxalic Acid SCHEMBL6025318 0.69 TSHR (0.60) TSHRSMN1; SMN2ALDH1A1TDP1MAPK1
SCHEMBL727980 0.69 AKR1B1 (0.38) TSHRALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6936664-B2 Reworkable epoxidized 1-(cyclo) alkenyl ether/polycarboxylic acid product HENKEL CORPORATION (US) 2005-08-30 US claimed
US-20040102544-A1 Reworkable epoxidized 1-(cyclo) alkenyl ether/polycarboxylic acid product HENKEL CORPORATION 2004-05-27 US claimed
US-6936664-B2 Reworkable epoxidized 1-(cyclo) alkenyl ether/polycarboxylic acid product HENKEL CORPORATION (US) 2005-08-30 US disclosed
US-20040102544-A1 Reworkable epoxidized 1-(cyclo) alkenyl ether/polycarboxylic acid product HENKEL CORPORATION 2004-05-27 US disclosed