SCHEMBL7614853

SCHEMBL7614853

CC(Br)C(CO)(CO)CO

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.36
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL1681306 0.73 TSHR (0.41) TSHRALDH1A1TDP1
SCHEMBL11193996 0.72 DPP4 (0.40) DPP4TSHRALDH1A1
SCHEMBL6913846 0.72 DPP4 (0.40) DPP4TSHRALDH1A1TDP1
SCHEMBL6153978 0.71
SCHEMBL27865283 0.71
SCHEMBL932773 0.69 TDP1 (0.41) DPP4TSHRALDH1A1TDP1
SCHEMBL7888475 0.69 DPP4 (0.38) DPP4TSHRALDH1A1
SCHEMBL31419326 0.69
SCHEMBL9356805 0.67 TSHR (0.43) TSHRALDH1A1TDP1
SCHEMBL29247952 0.67 DPP4 (0.36) DPP4TSHRTDP1

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-6495243-B1 Recording substrates for ink jet printing XEROX CORPORATION 2002-12-17 US claimed
US-5759734-A Method of generating simulated photographic-quality images on luminescent melt-formed backing substrates XEROX CORPORATION (US) 1998-06-02 US claimed