SCHEMBL9006594

SCHEMBL9006594

O=C1C=CC(=O)c2c(OC(F)=C(F)F)ccc(OC(F)=C(F)F)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.49
▸ AURKA O14965 2/20 0.38
▸ CDC25B P30305 2/20 0.38
▸ AURKB Q96GD4 2/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ TXNRD1 Q16881 1/20 0.38
▸ TXNRD3 Q86VQ6 1/20 0.38
▸ COPS5 Q92905 1/20 0.38
▸ TXNRD2 Q9NNW7 1/20 0.38
▸ TOP1 P11387 3/20 0.37
▸ MEN1 O00255 2/20 0.32
▸ USP2 O75604 2/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ TP53 P04637 2/20 0.32
▸ CYP3A4 P08684 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ THRB P10828 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ ALOX15 P16050 2/20 0.32

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
SCHEMBL9006566 0.91 PIM1 (0.63) PIM1AURKACDC25BAURKBCYP1A1
SCHEMBL9006672 0.82 TOP1 (0.59) PIM1AURKACDC25BAURKBCYP1A1
SCHEMBL10378556 0.72 PIM1 (0.82) PIM1AURKACDC25BAURKBCYP1A1
SCHEMBL10395175 0.68 PIM1 (0.50) PIM1AURKACDC25BAURKBCYP1A1
SCHEMBL9006619 0.66 TOP1 (0.45) PIM1CDC25BTOP1MAPTKDM4E
SCHEMBL358094 0.66 TOP1 (0.63) PIM1AURKACDC25BAURKBCYP1A1
SCHEMBL29442957 0.66 TOP1 (0.63) PIM1AURKACDC25BAURKBCYP1A1
Hydrogen Sulfide SCHEMBL28484519 0.64 TOP1 (0.61) PIM1TOP1MEN1USP2ALDH1A1
SCHEMBL8593522 0.64 CES2 (0.35) —
SCHEMBL9006636 0.63 CA9 (0.41) CYP1A1CYP1A2MEN1ALDH1A1CYP3A4

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
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