SCHEMBL5708404

SCHEMBL5708404

O=S(=O)(O)C1(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)F.[NaH]

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL11857618 1.00 TSHR (0.33) TSHRTDP1
SCHEMBL6152272 0.97 TSHR (0.35) TSHRTDP1
SCHEMBL4449296 0.97 TSHR (0.35) TSHRTDP1
SCHEMBL712910 0.97 TSHR (0.35) TSHRTDP1
SCHEMBL11313021 0.94 TSHR (0.33) TSHRTDP1
SCHEMBL7651161 0.94 TSHR (0.33) TSHRTDP1
SCHEMBL11321071 0.94 TSHR (0.33) TSHRTDP1
SCHEMBL5708410 0.94 TSHR (0.33) TSHRTDP1
SCHEMBL17598899 0.82
SCHEMBL713766 0.80 MEN1 (0.42) TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0955303-B1 Ruthenium-iodo-optically active phosphine complex TAKASAGO PERFUMERY CO LTD (JP) 2006-11-08 EP disclosed
EP-1041079-A2 Ruthenium-optically active phosphine complex mixture, process for the preparation thereof and asymmetric hydrogenation catalyst comprising same Takasago International Corporation (JP) 2000-10-04 EP disclosed
US-6043380-A FOR ASYMMETRICALLY HYDROGENATING 4-METHYLENE-2-OXETANONE INTO OPTICALLY ACTIVE 4-METHYL-2-OXETANONE TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-03-28 US disclosed
EP-0955303-A2 Ruthenium-iodo-optically active phosphine complex Takasago International Corporation (JP) 1999-11-10 EP disclosed