SCHEMBL29952416

SCHEMBL29952416

[C-]#[N+]c1cc(F)cc(C(F)(F)F)c1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ CES2 O00748 1/20 0.31
▸ PGR P06401 1/20 0.31

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
SCHEMBL29951501 0.86 CES2 (0.41) RXRARXRBRXRGCES2
SCHEMBL13208363 0.81 GABRA1 (0.33) —
SCHEMBL29951868 0.77 NOTUM (0.40) CES2
SCHEMBL4461544 0.75 CES2 (0.48) RXRARXRBRXRGCES2
SCHEMBL9693899 0.75 CES2 (0.42) RXRARXRBRXRGCES2PGR
SCHEMBL12707880 0.72 RXRA (0.42) RXRARXRBRXRGCES2
SCHEMBL12707881 0.72 IDO1 (0.36) —
SCHEMBL12707886 0.72 IDO1 (0.40) —
SCHEMBL29957599 0.70 TSHR (0.48) CES2
SCHEMBL324927 0.70 TSHR (0.48) CES2

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 — — US disclosed
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