SCHEMBL8635803

SCHEMBL8635803

C=CCOCC=C.CCI

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.46
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
ALDH1A1 P00352 2/20 0.37
CA9 Q16790 1/20 0.37
CA7 P43166 1/20 0.36
TSHR P16473 3/20 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
Propane SCHEMBL892321 0.87 MEN1 (0.50) MEN1POLBKMT2ACA1CA2
Butane SCHEMBL27399074 0.84 MEN1 (0.48) MEN1POLBKMT2ACA1CA2
SCHEMBL8523041 0.84 CA1 (0.39) MEN1POLBKMT2ACA1CA2
SCHEMBL14917541 0.84 CA1 (0.39) MEN1POLBKMT2ACA1CA2
Ethane SCHEMBL27452377 0.83
SCHEMBL15584 0.83
SCHEMBL15068452 0.83 CA1 (0.46) MEN1POLBKMT2ACA1CA2
Propane SCHEMBL10629183 0.81 MEN1 (0.46) MEN1POLBKMT2ACA1CA2
Ether SCHEMBL3258161 0.81 MEN1 (0.46) MEN1POLBKMT2ACA1CA2
Ethyl Chloride SCHEMBL15310750 0.81 MEN1 (0.46) MEN1POLBKMT2ACA1CA2

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-0538061-B1 Fluorine-containing organosilicon compound and process of producing the same SHINETSU CHEMICAL CO (JP) 1998-03-18 EP disclosed
US-5262557-A Reacting fluorine containing olefin with chlorosilane compound SHIN-ETSU CHEMICAL CO., LTD. (JP) 1993-11-16 US disclosed
EP-0538062-A2 Fluorine-containing cyclotrisiloxane and process for preparing the same Shin-Etsu Chemical Co., Ltd. (JP) 1993-04-21 EP disclosed
EP-0538061-A2 Fluorine-containing organosilicon compound and process of producing the same Shin-Etsu Chemical Co., Ltd. (JP) 1993-04-21 EP disclosed