SCHEMBL5507705

SCHEMBL5507705

OC1(F)C2(F)C(F)(F)C3(F)C(F)(F)C1(F)C(F)(F)C(F)(C2(F)F)C3(F)F.[LiH]

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL1888715 0.96 MEN1 (0.33) MEN1KMT2ATDP1
SCHEMBL27388323 0.73 MEN1 (0.50) MEN1KMT2ATDP1
SCHEMBL708310 0.73 MEN1 (0.50) MEN1KMT2ATDP1
SCHEMBL1395211 0.72 MEN1 (0.33) MEN1KMT2ATDP1
SCHEMBL820267 0.69 MEN1 (0.31) MEN1KMT2ATDP1
SCHEMBL31049981 0.69 MEN1 (0.60) MEN1KMT2ATDP1
SCHEMBL1883029 0.67
SCHEMBL4417153 0.65 MEN1 (0.70) MEN1KMT2ATDP1
SCHEMBL10428033 0.65 MEN1 (0.70) MEN1KMT2ATDP1
SCHEMBL3847172 0.64 MEN1 (0.33) MEN1KMT2ATDP1

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
US-7193106-B2 Halogenoacetoxyadamantane derivatives and process for production thereof IDEMITSU KOSAN CO., LTD. (JP) 2007-03-20 US disclosed
US-20050258395-A1 Halogenoacetoxyadamantane derivatives and process for production thereof IDEMITSU KOSAN CO., LTD. (JP) 2005-11-24 US disclosed
EP-1516867-A1 HALOGENOACETOXYADAMANTANE DERIVATIVES AND PROCESS FOR PRODUCTION THEREOF IDEMITSU KOSAN CO., LTD. (JP) 2005-03-23 EP disclosed