SCHEMBL9006645

SCHEMBL9006645

O=c1ccc2cc(OC(F)=C(F)F)ccc2o1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 14/20 0.66
CA12 O43570 13/20 0.66
CYP2A6 P11509 1/20 0.59
MCL1 Q07820 2/20 0.51
CA1 P00915 3/20 0.51
CA4 P22748 3/20 0.51
KDM4E B2RXH2 3/20 0.51
POLB P06746 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
GLA P06280 2/20 0.51
GAA P10253 2/20 0.51
CA3 P07451 2/20 0.47
CA6 P23280 2/20 0.47
CA5A P35218 2/20 0.47
CA7 P43166 2/20 0.47
CA14 Q9ULX7 2/20 0.47
CA2 P00918 1/20 0.47
CA5B Q9Y2D0 1/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL9006578 0.89 CA12 (0.70) CA9CA12CYP2A6CA1CA4
SCHEMBL9006400 0.89 CA12 (0.65) CA9CA12CA1CA4KDM4E
SCHEMBL9006494 0.83 CA9 (0.50) CA9CA12CYP2A6MCL1CA1
SCHEMBL16283612 0.79 CA12 (1.00) CA9CA12CYP2A6MCL1CA1
SCHEMBL9006755 0.79 KMT2A (0.70) CA9CA12CA1CA4KDM4E
SCHEMBL8665021 0.79 KMT2A (0.39) CA9CA12CYP2A6KDM4ETDP1
SCHEMBL23963403 0.78 CA12 (0.70) CA9CA12CYP2A6MCL1CA1
SCHEMBL27265450 0.76 CA9 (0.71) CA9CA12CYP2A6CA1CA4
SCHEMBL8637379 0.75 KMT2A (0.42) CYP2A6KDM4ETDP1ALDH1A1KMT2A
SCHEMBL1108372 0.75 CYP2A6 (1.00) CA9CA12CYP2A6MCL1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5489623-A APPLYING POLYMER TO SURFACE, EXPOSING TO INCIDENT PHOTONICRADIATION TO RENDER PORTIONS LESS SOLUBLE OR DISPERSIBLE THE DOW CHEMICAL COMPANY (US) 1996-02-06 US claimed
EP-0676062-A1 PHOTODEFINABLE POLYMERS CONTAINING PERFLUOROCYCLOBUTANE GROUPS THE DOW CHEMICAL COMPANY (US) 1995-10-11 EP claimed
US-5426164-A Solvent and chemical resistant coatings and photoresists; photocuring of perfluorovinyl polymers containing photo active sites; cyclization THE DOW CHEMICAL COMPANY (US) 1995-06-20 US claimed
WO-1994015258-A1 PHOTODEFINABLE POLYMERS CONTAINING PERFLUOROCYCLOBUTANE GROUPS THE DOW CHEMICAL COMPANY (US) 1994-07-07 WO claimed
US-5489623-A APPLYING POLYMER TO SURFACE, EXPOSING TO INCIDENT PHOTONICRADIATION TO RENDER PORTIONS LESS SOLUBLE OR DISPERSIBLE THE DOW CHEMICAL COMPANY (US) 1996-02-06 US disclosed
EP-0676062-A1 PHOTODEFINABLE POLYMERS CONTAINING PERFLUOROCYCLOBUTANE GROUPS THE DOW CHEMICAL COMPANY (US) 1995-10-11 EP disclosed
US-5426164-A Solvent and chemical resistant coatings and photoresists; photocuring of perfluorovinyl polymers containing photo active sites; cyclization THE DOW CHEMICAL COMPANY (US) 1995-06-20 US disclosed
WO-1994015258-A1 PHOTODEFINABLE POLYMERS CONTAINING PERFLUOROCYCLOBUTANE GROUPS THE DOW CHEMICAL COMPANY (US) 1994-07-07 WO disclosed