SCHEMBL29245225

SCHEMBL29245225

O=C1OC(=O)c2c1ccc(-c1ccc3c(c1Br)C(=O)OC3=O)c2Cl

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TYMS P04818 2/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL29462451 0.76 TSHR (0.46) TSHRALDH1A1TYMSALOX15TDP1
SCHEMBL855450 0.76 TYMS (0.50) TSHRALDH1A1TYMSALOX15TDP1
SCHEMBL855919 0.76 TSHR (0.46) TSHRALDH1A1TYMSALOX15TDP1
SCHEMBL29462450 0.76 TYMS (0.50) TSHRALDH1A1TYMSALOX15TDP1
SCHEMBL855172 0.73 ALDH1A1 (0.43) TSHRALDH1A1TYMSALOX15TDP1
SCHEMBL8849279 0.73 ALDH1A1 (0.43) TSHRALDH1A1TYMSALOX15TDP1
Fluoride Ion SCHEMBL11260088 0.73 TYMS (0.47) TSHRALDH1A1TYMSALOX15TDP1
SCHEMBL9771012 0.73 ALDH1A1 (0.43) TSHRALDH1A1TYMSALOX15TDP1
SCHEMBL854984 0.73 TSHR (0.43) TSHRALDH1A1TYMSALOX15TDP1
SCHEMBL29132827 0.70 ALDH1A1 (0.40) TSHRALDH1A1TYMSALOX15TDP1

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-118056309-A Flame-retardant nonaqueous electrolyte and secondary battery using same 国立大学法人京都大学 2024-05-17 — — CN disclosed
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