SCHEMBL29143483

SCHEMBL29143483

O=C(O)C1(c2cccc(-c3ccccc3)c2OCc2c(-c3ccccc3C(F)(F)F)noc2C2CC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 20/20 0.70

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
SCHEMBL29143490 0.89 NR1H4 (0.71) NR1H4
SCHEMBL29143484 0.85 NR1H4 (0.67) NR1H4
SCHEMBL29143479 0.84 NR1H4 (0.83) NR1H4
SCHEMBL29143462 0.77 NR1H4 (0.76) NR1H4
SCHEMBL29143459 0.76 NR1H4 (0.84) NR1H4
SCHEMBL29143467 0.75 NR1H4 (0.71) NR1H4
SCHEMBL29384878 0.74 NR1H4 (0.57) NR1H4
SCHEMBL19202559 0.74 NR1H4 (0.57) NR1H4
SCHEMBL20833614 0.73 NR1H4 (0.60) NR1H4
SCHEMBL28416392 0.73 NR1H4 (0.62) NR1H4

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
CN-116925059-A Novel isoxazole FXR agonist, preparation method thereof and application thereof as medicine 广东药科大学 2023-10-24 — — CN claimed
CN-116925059-A Novel isoxazole FXR agonist, preparation method thereof and application thereof as medicine 广东药科大学 2023-10-24 — — CN disclosed
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