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Sugi Predict / Compounds / SCHEMBL8025946

SCHEMBL8025946

SCHEMBL8025946

C[C+](c1ccccc1)c1ccccc1.FC(F)(F)c1cc([B-](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc(C(F)(F)F)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KIF11 P52732 1/20 0.38
▸ TACR1 P25103 14/20 0.35
▸ P2RX1 P51575 1/20 0.35
▸ IDO1 P14902 1/20 0.35
▸ TDO2 P48775 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL134407 0.86 ALDH1A1 (0.41) ALDH1A1TSHRKIF11TACR1P2RX1
SCHEMBL5909720 0.81 ALDH1A1 (0.48) ALDH1A1TSHRKIF11TACR1P2RX1
SCHEMBL15065839 0.81 ALDH1A1 (0.48) ALDH1A1TSHRKIF11TACR1P2RX1
Benzene SCHEMBL30336225 0.81 TSHR (0.43) ALDH1A1TSHRKIF11TACR1P2RX1
Toluene SCHEMBL6538388 0.79 TSHR (0.41) ALDH1A1TSHRKIF11TACR1P2RX1
Toluene SCHEMBL6239727 0.79 TSHR (0.41) ALDH1A1TSHRKIF11TACR1P2RX1
SCHEMBL41567 0.77 CES2 (0.44) ALDH1A1TSHRKIF11IDO1
Aniline SCHEMBL1010731 0.77 ALDH1A1 (0.43) ALDH1A1TSHRKIF11TACR1P2RX1
SCHEMBL30471475 0.76 APOBEC3A (0.47) ALDH1A1TSHRKIF11TACR1P2RX1
SCHEMBL22105646 0.76 TAS2R14 (0.40) ALDH1A1TSHRKIF11TACR1P2RX1

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
EP-1025139-A1 COPOLYMERIZATION OF FORMALDEHYDE AND CYCLIC ETHERS USING INITIATORS BASED UPON TETRAPHENYL BORATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 2000-08-09 — — EP disclosed
US-6072021-A Copolymerization of formaldehyde and cyclic ethers using initiators based upon tetraphenyl borates E. I. DU PONT DE NEMOURS AND COMPANY (US) 2000-06-06 — — US disclosed
WO-1999021903-A1 COPOLYMERIZATION OF FORMALDEHYDE AND CYCLIC ETHERS USING INITIATORS BASED UPON TETRAPHENYL BORATES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1999-05-06 — — WO disclosed