SCHEMBL8744935

SCHEMBL8744935

ClC(Cl)c1ccc2c(c1)OC(Cl)(Cl)O2

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL10921658 0.82 LMNA (0.36) TSHR
SCHEMBL8744987 0.82 GPR55 (0.39)
SCHEMBL6601303 0.70 AHR (0.50)
Hydrochloric Acid SCHEMBL8764857 0.68 MMP12 (0.34) TSHR
SCHEMBL7487283 0.68 CYP3A4 (0.51)
SCHEMBL24509831 0.68 TSHR (0.48) TSHR
SCHEMBL6336282 0.67 GPR55 (0.43)
SCHEMBL8763953 0.67 TSHR (0.31) TSHR
SCHEMBL8763946 0.67 ALOX15 (0.35)
SCHEMBL1003323 0.66 ALOX5 (0.38) TSHR

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-0537517-B1 Method for the preparation of 2,2-difluorobenzo(1,3)dioxolecarbaldehydes and intermediates BAYER AG (DE) 1997-01-22 EP disclosed
US-5525739-A Process for the preparation of 2,2-difluorobenzo[1,3]-dioxole-carbaldehydes and new intermediate products BAYER AKTIENGESELLSCHAFT (DE) 1996-06-11 US disclosed
US-5420308-A 2,2-difluorobenzo (1,3)-dioxole-carbaldehydes and new intermediate products BAYER AKTIENGESELLSCHAFT (DE) 1995-05-30 US disclosed
EP-0537517-A1 Method for the preparation of 2,2-difluorobenzo(1,3)dioxolecarbaldehydes and intermediates BAYER AG (DE) 1993-04-21 EP disclosed