SCHEMBL25419897

SCHEMBL25419897

Cc1ccccc1-[n+]1ccc(-c2cc[n+](-c3ccccc3C)cc2)cc1.F[P-](F)(F)(F)(F)F.F[P-](F)(F)(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.40
▸ RAB9A P51151 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ SLC22A2 O15244 1/20 0.35
▸ SLC22A1 O15245 1/20 0.35
▸ SLC22A3 O75751 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ IDO1 P14902 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30

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
SCHEMBL19888150 0.92 ACHE (0.44) ACHERAB9ANPC1SLC22A2SLC22A1
SCHEMBL31212632 0.86 ACHE (0.37) ACHERAB9ANPC1TSHRIDO1
SCHEMBL5157528 0.84 SLC22A2 (0.56) ACHERAB9ANPC1SLC22A2SLC22A1
SCHEMBL17996799 0.78 ACHE (0.36) ACHERAB9ANPC1SLC22A2SLC22A1
SCHEMBL17996813 0.77 ACHE (0.45) ACHERAB9ANPC1KDM4EALDH1A1
SCHEMBL971422 0.76 ACHE (0.43) ACHERAB9ANPC1SLC22A2SLC22A1
SCHEMBL29725175 0.76 ACHE (0.43) ACHERAB9ANPC1SLC22A2SLC22A1
SCHEMBL19601082 0.76 ACHE (0.43) ACHERAB9ANPC1TSHRIDO1
SCHEMBL17996806 0.71 RAB9A (0.38) ACHERAB9ANPC1KDM4EALDH1A1
SCHEMBL19601079 0.71 ACHE (0.40) ACHERAB9ANPC1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230178784-A1 REDOX RELAY FLOW BATTERIES AND METHODS OF MAKING THE SAME OHIO STATE INNOVATION FOUNDATION 2023-06-08 — — US disclosed
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