SCHEMBL30512320

SCHEMBL30512320

CC(C)(O)C(C)(C)O.OB(O)OCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.49
▸ MAOB P27338 7/20 0.43
▸ KMT2A Q03164 1/20 0.42
▸ ORAI1 Q96D31 1/20 0.40
▸ ORAI2 Q96SN7 1/20 0.40
▸ ORAI3 Q9BRQ5 1/20 0.40
▸ TRPV6 Q9H1D0 1/20 0.40
▸ MGLL Q99685 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL29253807 0.79 LIPE (0.44) IDO1KMT2ATAAR1
Boric Acid SCHEMBL28861430 0.79 IDO1 (0.47) IDO1MAOBKMT2AORAI1ORAI2
SCHEMBL26048601 0.72 MGLL (0.61) IDO1MAOBKMT2AORAI1ORAI2
SCHEMBL19220762 0.71 IDO1 (0.59) IDO1MAOBKMT2ATAAR1
SCHEMBL25413876 0.71 MGLL (0.79) ORAI1ORAI2ORAI3TRPV6MGLL
SCHEMBL791859 0.70 IDO1 (0.63) IDO1MAOBKMT2ATAAR1
SCHEMBL17484610 0.70 AGXT (0.52) IDO1MAOBKMT2AORAI1ORAI2
SCHEMBL25397498 0.70 IDO1 (0.52) IDO1MAOBORAI1ORAI2ORAI3
SCHEMBL15625925 0.70 IDO1 (0.49) IDO1MAOBKMT2A
SCHEMBL492736 0.69 IDO1 (0.68) IDO1MAOBKMT2ATAAR1

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
CN-116525942-A Electrolyte additive, preparation method thereof, electrolyte and lithium ion battery 江苏正力新能电池技术有限公司 2023-08-01 — — CN claimed
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