SCHEMBL23963452

SCHEMBL23963452

C=CC(=O)OCC1CC2CC1CC2C(O)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.31
▸ TP53 P04637 3/20 0.31
▸ HIF1A Q16665 3/20 0.31
▸ CYP3A4 P08684 2/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TSHR P16473 4/20 0.30
▸ HSD17B10 Q99714 1/20 0.30

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
SCHEMBL23963209 0.87 ALDH1A1 (0.33) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL18400959 0.82 ALDH1A1 (0.32) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL18791209 0.80 TSHR (0.31) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL18785986 0.80 SLC18A2 (0.30) —
SCHEMBL23974108 0.77 ALDH1A1 (0.36) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL13906719 0.76 — —
SCHEMBL23963324 0.74 — —
SCHEMBL20215500 0.74 — —
SCHEMBL23963257 0.70 TSHR (0.33) ALDH1A1TP53HIF1ACYP3A4MAPK1
SCHEMBL18476386 0.70 — —

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-20210333712-A1 IODIZED AROMATIC CARBOXYLIC ACID TYPE PENDANT-CONTAINING POLYMER, RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-10-28 — — US disclosed
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