SCHEMBL3716368

SCHEMBL3716368

O=C(O)C=CCC(CO)(CO)C(C=CC(=O)O)(C=CC(=O)O)CO

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
GABRR1 P24046 2/20 0.35
GABRR2 P28476 2/20 0.35
BLM P54132 2/20 0.35
GABRR3 A8MPY1 1/20 0.35
LMNA P02545 1/20 0.35
APEX1 P27695 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
TP53 P04637 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35

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
SCHEMBL11383744 0.86 TSHR (0.37) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL487392 0.76
SCHEMBL9703449 0.74 HCAR2 (0.32)
SCHEMBL6151241 0.70 TSHR (0.44) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL154825 0.70 TSHR (0.38) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL9788190 0.70 TSHR (0.44) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL165171 0.69 HCAR2 (0.34) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL17451338 0.65 TSHR (0.33) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL315978 0.65 TSHR (0.33) TSHRGABRR1GABRR2BLMGABRR3
Fumaric Acid SCHEMBL9044328 0.64 TSHR (0.56) TSHRGABRR1GABRR2BLMGABRR3

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
WO-2023079450-A1 MATERIAL FOR CASTING RELEASE PAPER AND A PROCESS FOR ITS PREPARATION SAPICI (HONG KONG) LIMITED (CN) 2023-05-11 WO claimed
US-5238471-A Spray deposition as aerosol on microporous substrate, annealing, rendered defect-free E. I. DU PONT DE NEMOURS AND COMPANY (US) 1993-08-24 US claimed
WO-2023079450-A1 MATERIAL FOR CASTING RELEASE PAPER AND A PROCESS FOR ITS PREPARATION SAPICI (HONG KONG) LIMITED (CN) 2023-05-11 WO disclosed
WO-2010113188-A1 FLUORURATED SILICONIC POLYMER, SYNTHESIS METHOD AND USE MAFLON S.R.L. (IT) 2010-10-07 WO disclosed