SCHEMBL30775167

SCHEMBL30775167

OC1(c2ccc(OCc3c(-c4c(Cl)cc(F)cc4Cl)noc3C3CC3)cc2Cl)CNC1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 20/20 0.68
HSD17B13 Q7Z5P4 1/20 0.56

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
SCHEMBL19689493 1.00 NR1H4 (0.68) NR1H4HSD17B13
Hydrochloric Acid SCHEMBL29139866 0.99 NR1H4 (0.67) NR1H4HSD17B13
SCHEMBL19699374 0.91 NR1H4 (0.70) NR1H4HSD17B13
Hydrochloric Acid SCHEMBL19690320 0.90 NR1H4 (0.69) NR1H4HSD17B13
Hydrochloric Acid SCHEMBL29386717 0.90 NR1H4 (0.69) NR1H4HSD17B13
SCHEMBL19698943 0.90 NR1H4 (0.69) NR1H4HSD17B13
SCHEMBL29736148 0.90 NR1H4 (0.60) NR1H4HSD17B13
SCHEMBL22233686 0.90 NR1H4 (0.60) NR1H4HSD17B13
SCHEMBL19725194 0.88 NR1H4 (0.73) NR1H4HSD17B13
SCHEMBL19717877 0.86 NR1H4 (0.75) NR1H4HSD17B13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113302190-B FXR (NR 1H 4) modulating compounds 吉利德科学公司 2024-10-18 CN disclosed
EP-4089072-B1 FXR (NR1H4) MODULATING COMPOUNDS GILEAD SCIENCES INC (US) 2024-08-28 EP disclosed
CN-117924266-A Compounds that modulate FXR (NR 1H 4) 吉利德科学公司 2024-04-26 CN disclosed
CN-117924267-A Compounds that modulate FXR (NR 1H 4) 吉利德科学公司 2024-04-26 CN disclosed
CN-109476636-B Compounds that modulate FXR (NR 1H 4) 吉利德科学公司 2024-01-09 CN disclosed