SCHEMBL8767121

SCHEMBL8767121

Fc1c(F)c(C(F)(F)F)c(F)c(F)c1OOOc1c(F)c(F)c(C(F)(F)F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL8767127 0.87 TSHR (0.39) TSHRSMN1; SMN2
SCHEMBL3094424 0.78 SMN1; SMN2 (0.54) TSHRSMN1; SMN2
SCHEMBL312355 0.76 SMN1; SMN2 (0.42) TSHRSMN1; SMN2
SCHEMBL6432852 0.76 TSHR (0.52) TSHRSMN1; SMN2
SCHEMBL12965171 0.74 SMN1; SMN2 (0.45) TSHRSMN1; SMN2
SCHEMBL27733055 0.74 TSHR (0.50) TSHRSMN1; SMN2
SCHEMBL4437119 0.74 TSHR (0.45) TSHRSMN1; SMN2
Perfluorotoluene SCHEMBL308464 0.73 SMN1; SMN2 (0.41) TSHRSMN1; SMN2
Lithium SCHEMBL30525465 0.70 TSHR (0.42) TSHRSMN1; SMN2
SCHEMBL3168128 0.70 SMN1; SMN2 (0.39) TSHRSMN1; SMN2

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-0638064-B1 SUBSTITUTED 1,1,2-TRIPHENYLBUTENES AND THEIR USE IN THE TREATMENT AND DIAGNOSIS OF CANCER BRITISH TECH GROUP (GB) 1997-08-13 EP disclosed
US-5589500-A TREATMENT OF TUMORS OR ANTICARCINOGENIC AGENTS BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-12-31 US disclosed
EP-0638064-A1 SUBSTITUTED 1,1,2-TRIPHENYLBUTENES AND THEIR USE IN THE TREATMENT AND DIAGNOSIS OF CANCER. BRITISH TECH GROUP (GB) 1995-02-15 EP disclosed
WO-1993022275-A1 SUBSTITUTED 1,1,2-TRIPHENYLBUTENES AND THEIR USE IN THE TREATMENT AND DIAGNOSIS OF CANCER BRITISH TECHNOLOGY GROUP LTD (GB) 1993-11-11 WO disclosed