SCHEMBL27758680

SCHEMBL27758680

C=COP(=O)(O)OC(=O)C(=C)C

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.31
PEPD P12955 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
SCHEMBL9276375 0.83 ALDH1A1 (0.48) ALDH1A1TSHRPEPD
SCHEMBL23274187 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL27532365 0.77 ALDH1A1 (0.48) ALDH1A1TSHRPEPD
SCHEMBL27446968 0.77 ALDH1A1 (0.42) ALDH1A1TSHRPEPD
SCHEMBL9015257 0.76 BTN3A1 (0.37) ALDH1A1TSHR
SCHEMBL28181305 0.75 ALDH1A1 (0.41) ALDH1A1TSHRPEPD
SCHEMBL27548672 0.75 BTN3A1 (0.46) ALDH1A1TSHRPEPD
SCHEMBL5557883 0.74 ALDH1A1 (0.33) ALDH1A1TSHRPEPD
SCHEMBL28365176 0.74 ALOX15 (0.40) PEPD
SCHEMBL632415 0.73 PEPD (0.48) ALDH1A1TSHRPEPD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101535391-A Radiation curable hybrid composite and method CYTEC SURFACE SPECIALTIES SA (BE) 2009-09-16 CN claimed