SCHEMBL10033428

SCHEMBL10033428

C=C(C)C(=O)O/C(=C\C)C(C=O)CC=O

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.34
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL28041250 0.70 TSHR (0.37) TSHRALDH1A1
SCHEMBL5879317 0.70 TSHR (0.41) TSHRALDH1A1
SCHEMBL14011516 0.69
SCHEMBL9863688 0.69
SCHEMBL23716776 0.67 TSHR (0.41) TSHRALDH1A1
SCHEMBL13242077 0.66 TSHR (0.44) TSHRALDH1A1
SCHEMBL6667949 0.65 ALDH1A1 (0.52) TSHRALDH1A1
Acetic Acid SCHEMBL2896489 0.64 ALDH1A1 (0.55) TSHRALDH1A1
Acetic Acid SCHEMBL28803626 0.64 ALDH1A1 (0.55) TSHRALDH1A1
SCHEMBL15963 0.63 ALDH1A1 (0.61) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8702223-B2 Infrared-absorbing radiation-curable inks XEROX CORPORATION (US) 2014-04-22 US disclosed
US-20120162333-A1 Infrared-Absorbing Radiation-Curable Inks XEROX CORPORATION (US) 2012-06-28 US disclosed