SCHEMBL21314162

SCHEMBL21314162

Cn1cc[n+](CCCc2ccccc2)c1.F[B-](F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.37
▸ HSD11B1 P28845 2/20 0.36
▸ CA1 P00915 1/20 0.36
▸ CA2 P00918 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CHRNA7 P36544 2/20 0.35
▸ CHRNA10 Q9GZZ6 2/20 0.35
▸ CHRNA9 Q9UGM1 2/20 0.35

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
SCHEMBL869647 0.94 SIGMAR1 (0.41) SIGMAR1CA1CA2POLBCHRNA7
Hydrochloric Acid SCHEMBL5835817 0.92 SIGMAR1 (0.40) SIGMAR1CA1CA2POLBCHRNA7
SCHEMBL6115185 0.91 CA1 (0.37) CA1CA2POLB
SCHEMBL21314160 0.85 POLB (0.40) SIGMAR1POLBCHRNA7CHRNA10CHRNA9
SCHEMBL925005 0.84 CA1 (0.40) CA1CA2POLB
Hydrochloric Acid SCHEMBL6115226 0.83 CA1 (0.40) CA1CA2POLB
SCHEMBL385273 0.81 CHKA (0.41) CA1CA2POLB
Phthalic Acid SCHEMBL29142300 0.77 TSHR (0.38) POLB
SCHEMBL17625920 0.77 — —
SCHEMBL17316663 0.77 MEN1 (0.54) HSD11B1CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11312852-B2 Method for preparing graft copolymer complex, graft copolymer complex, and thermoplastic resin composition comprising graft copolymer complex LG CHEM, LTD. (KR) 2022-04-26 — — US disclosed
EP-3533810-B1 METHOD FOR PREPARING GRAFT COPOLYMER COMPLEX, GRAFT COPOLYMER COMPLEX, AND THERMOPLASTIC RESIN COMPOSITION COMPRISING THE GRAFT COPOLYMER COMPLEX LG CHEMICAL LTD (KR) 2021-04-21 — — EP disclosed
EP-3533810-A1 METHOD FOR PRODUCING GRAFT COPOLYMER COMPOSITE, GRAFT COPOLYMER COMPOSITE, AND THERMOPLASTIC RESIN COMPOSITION INCLUDING SAME LG Chem, Ltd. (KR) 2019-09-04 — — EP disclosed
Send feedback