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Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL28847475

N.NCC(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.55

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Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 11/20 0.55
▸ WNT3A P56704 11/20 0.55
▸ LMNA P02545 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ PTGS1 P23219 1/20 0.44
▸ CNR2 P34972 2/20 0.43

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
SCHEMBL8232789 0.98 CTNNB1 (0.57) CTNNB1WNT3ALMNAGAAPTGS1
Hydrochloric Acid SCHEMBL4500907 0.96 CTNNB1 (0.55) CTNNB1WNT3ALMNAGAAPTGS1
Ammonia Solution, Strong SCHEMBL28162083 0.83 CTNNB1 (0.57) CTNNB1WNT3ALMNAGAAPTGS1
SCHEMBL30089582 0.82 CTNNB1 (0.75) CTNNB1WNT3ALMNAGAACNR2
SCHEMBL19858887 0.81 CTNNB1 (0.58) CTNNB1WNT3ALMNAGAAPTGS1
SCHEMBL2073272 0.81 CTNNB1 (0.58) CTNNB1WNT3ALMNAGAAPTGS1
SCHEMBL24775562 0.81 CTNNB1 (0.59) CTNNB1WNT3ALMNAGAAPTGS1
SCHEMBL31525070 0.81 CTNNB1 (0.59) CTNNB1WNT3ALMNAGAAPTGS1
SCHEMBL8489375 0.80 LMNA (0.56) CTNNB1WNT3ALMNAGAAPTGS1
SCHEMBL2494518 0.80 LMNA (0.56) CTNNB1WNT3ALMNAGAAPTGS1

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-106916087-A A kind of synthetic method of the fluoro- 6- trifluoromethyls benzene sulfonyl chlorides of 2- 沈阳化工研究院有限公司 2017-07-04 — — CN claimed