SCHEMBL7904527

SCHEMBL7904527

O=S(=O)(Oc1cnc(-c2ccc(OCC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)nc1)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.31
MAPT P10636 1/20 0.31
TSHR P16473 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
SCHEMBL7914492 0.81 MAPT (0.35) USP2MAPTTSHR
SCHEMBL8539467 0.76 USP2 (0.36) USP2MAPTTSHR
SCHEMBL7561626 0.74 RARB (0.46) USP2MAPT
SCHEMBL7565302 0.74 RARB (0.46) USP2MAPT
SCHEMBL7560051 0.74 RARB (0.46) USP2MAPT
SCHEMBL7560836 0.74 RARB (0.46) USP2MAPT
SCHEMBL8176599 0.73 NPC1 (0.38) USP2MAPTTSHR
SCHEMBL7755270 0.73 RARB (0.46) USP2MAPT
SCHEMBL7756078 0.73 RARB (0.46) USP2MAPT
SCHEMBL7089192 0.72 RARB (0.45) USP2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1135450-A1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A FLUORINATED TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2001-09-26 EP disclosed
US-6139924-A CONTAINING A PYRIMIDINE RING 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-10-31 US disclosed
WO-2000031210-A1 CHIRAL LIQUID CRYSTAL COMPOUNDS HAVING A FLUORINATED TERMINAL PORTION MINNESOTA MINING AND MANUFACTURING COMPANY (US) 2000-06-02 WO disclosed