SCHEMBL7041787

SCHEMBL7041787

C=C(C)C(=O)OC.CC(C)CC=CC(=O)O.CC=C(C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
TSHR P16473 1/20 0.39

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
SCHEMBL5833555 0.82 TSHR (0.37) ALDH1A1TSHR
SCHEMBL9329248 0.80 ALDH1A1 (0.65) ALDH1A1TSHR
SCHEMBL8161723 0.80 ALDH1A1 (0.65) ALDH1A1TSHR
SCHEMBL523379 0.80 ALDH1A1 (0.41) ALDH1A1TSHR
Methacrylic Acid SCHEMBL30076053 0.78 ALDH1A1 (0.62) ALDH1A1TSHR
SCHEMBL3755305 0.77 PTPN1 (0.47) ALDH1A1TSHR
SCHEMBL1172399 0.75 ALDH1A1 (0.46) ALDH1A1
SCHEMBL5707860 0.74 ALDH1A1 (0.56) ALDH1A1TSHR
Maleic Acid SCHEMBL8629341 0.73 ALDH1A1 (0.71) ALDH1A1TSHR
Fumaric Acid SCHEMBL10776632 0.73 ALDH1A1 (0.71) ALDH1A1TSHR

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-6805872-B2 INCORPORATING INTO COSMETIC COMPOSITION BLOCK ETHYLENIC COPOLYMER OF ELASTIC NATURE INCLUDING RIGID BLOCK HAVING GLASS TRANSITION TEMPERATURE OF 20 DEGREES C. OR MORE AND FLEXIBLE BLOCK HAVING LOWER GLASS TRANSITION TEMPERATURE L'OREAL (FR) 2004-10-19 US claimed
US-20020115780-A1 At least one rigid block having a glass transition temperature (Tg) of greater than or equal to 20 degrees C., and at least one flexible block having a glass transition temperature (Tg) of less than 20 degrees C. L'OREAL (FR) 2002-08-22 US claimed
US-6805872-B2 INCORPORATING INTO COSMETIC COMPOSITION BLOCK ETHYLENIC COPOLYMER OF ELASTIC NATURE INCLUDING RIGID BLOCK HAVING GLASS TRANSITION TEMPERATURE OF 20 DEGREES C. OR MORE AND FLEXIBLE BLOCK HAVING LOWER GLASS TRANSITION TEMPERATURE L'OREAL (FR) 2004-10-19 US disclosed
US-20020115780-A1 At least one rigid block having a glass transition temperature (Tg) of greater than or equal to 20 degrees C., and at least one flexible block having a glass transition temperature (Tg) of less than 20 degrees C. L'OREAL (FR) 2002-08-22 US disclosed