SCHEMBL6519062

SCHEMBL6519062

C=C(C(=O)O)C(C)(CC1CO1)CC1CO1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TET2 Q6N021 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 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
SCHEMBL5667742 0.81 ALDH1A1 (0.36) ALDH1A1TET2
SCHEMBL11189253 0.80 ALDH1A1 (0.36) ALDH1A1
SCHEMBL10974436 0.79 ALDH1A1 (0.34) ALDH1A1TET2
SCHEMBL6510625 0.78 ALDH1A1 (0.36) ALDH1A1
SCHEMBL345907 0.77 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9055569 0.76 TSHR (0.33) ALDH1A1TSHRMAPK1
SCHEMBL2996873 0.74 TSHR (0.37) ALDH1A1TSHRMAPK1
SCHEMBL8803304 0.74 ALDH1A1 (0.30) ALDH1A1
SCHEMBL18302657 0.71 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1
SCHEMBL7540204 0.71 ALDH1A1 (0.37) ALDH1A1TSHRMAPK1

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
EP-0880349-A4 METAL OXIDE COMPOSITIONS AND METHODS SOUTHWEST RES INST (US) 2005-04-13 EP disclosed
US-5945558-A Method of making amino acid acrylic monoesters SOUTHWEST RESEARCH INSTITUTE (US) 1999-08-31 US disclosed
WO-1999001035-A1 METHOD OF MAKING AMINO ACID ACRYLIC MONOESTERS AND COMPOSITIONS UTILIZING THE SAME SOUTHWEST RESEARCH INSTITUTE (US) 1999-01-14 WO disclosed
EP-0880349-A1 METAL OXIDE COMPOSITIONS AND METHODS SOUTHWEST RESEARCH INSTITUTE (US) 1998-12-02 EP disclosed
US-5810595-A Dental repair composition and method SOUTHWEST RESEARCH INSTITUTE (US) 1998-09-22 US disclosed
WO-1998013008-A1 METAL OXIDE COMPOSITIONS AND METHODS SOUTHWEST RESEARCH INSTITUTE (US) 1998-04-02 WO disclosed