SCHEMBL5711011

SCHEMBL5711011

ClCc1ccc(C[n+]2ccc(-c3cc[n+](Cc4ccc(CCl)cc4)cc3)cc2)cc1.F[B-](F)(F)F.F[B-](F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 13/20 0.51
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ BCHE P06276 1/20 0.40
▸ ACHE P22303 1/20 0.40

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
SCHEMBL5711012 0.92 CHKA (0.58) CHKAKDM4EALDH1A1RAB9ABCHE
Hydrochloric Acid SCHEMBL7166621 0.90 CHKA (0.56) CHKAKDM4EALDH1A1RAB9ABCHE
SCHEMBL7170670 0.85 CHKA (0.49) CHKAKDM4EALDH1A1RAB9ABCHE
Benzyl Viologen SCHEMBL9298734 0.80 ALDH1A1 (0.65) CHKAKDM4EALDH1A1RAB9A
Benzyl Viologen SCHEMBL3767137 0.80 ALDH1A1 (0.65) CHKAKDM4EALDH1A1RAB9A
SCHEMBL14557472 0.77 CHKA (0.67) CHKAKDM4EALDH1A1RAB9AACHE
SCHEMBL1108037 0.75 CHKA (0.70) CHKAKDM4EALDH1A1RAB9AACHE
SCHEMBL13767872 0.73 ALDH1A1 (0.71) CHKAKDM4EALDH1A1RAB9A
SCHEMBL7993576 0.72 ALDH1A1 (0.54) CHKAKDM4EALDH1A1RAB9AACHE
Hydrochloric Acid SCHEMBL1248547 0.71 ALDH1A1 (0.75) CHKAKDM4EALDH1A1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1027397-B1 ELECTROCHROME POLYMER SYSTEMS BAYER INNOVATION GMBH (DE) 2006-10-18 — — EP disclosed
US-6569361-B1 Polycondensation or polyaddition of electrochromic monomers are used in devices for variable transparency BAYER AKTIENGESELLSCHAFT (DE) 2003-05-27 — — US disclosed
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