Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL7544347

CC(C)Cc1cccc(O)c1CC(C)C.N

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.61
GABRB2 P47870 4/20 0.61
ELANE P08246 1/20 0.43
CTSG P08311 1/20 0.43
HSPA5 P11021 1/20 0.37
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
HTR2A P28223 2/20 0.36
TSHR P16473 1/20 0.35
KDM4E B2RXH2 1/20 0.35
USP2 O75604 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
P4HB P07237 1/20 0.35
IAPP P10997 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34

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
SCHEMBL258656 0.98 GABRA1 (0.63) GABRA1GABRB2ELANECTSGHSPA5
SCHEMBL27494366 0.96 GABRA1 (0.61) GABRA1GABRB2ELANECTSGHSPA5
SCHEMBL6895101 0.85 GABRA1 (0.54) GABRA1GABRB2ELANECTSGTSHR
SCHEMBL2743774 0.83 GABRA1 (0.62) GABRA1GABRB2ELANECTSGHSD17B10
Bromide SCHEMBL9172366 0.82 GABRA1 (0.48) GABRA1GABRB2ELANECTSGPOLB
SCHEMBL28634415 0.80 GABRA1 (0.47) GABRA1GABRB2HSPA5POLBMAPK1
SCHEMBL27865268 0.80 GABRA1 (0.47) GABRA1GABRB2ELANECTSGKDM4E
SCHEMBL5696077 0.80 BID (0.49) GABRA1GABRB2TSHRKDM4EHSD17B10
SCHEMBL276132 0.79 GABRA1 (0.52) GABRA1GABRB2ELANECTSGPOLB
SCHEMBL1053654 0.79 GABRA1 (0.79) GABRA1GABRB2ELANECTSGTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100357258-C Production of keto acids CIBA SC HOLDING AG (CH) 2007-12-26 CN claimed
EP-0853079-B1 Production of keto acids CIBA SC HOLDING AG (CH) 2002-06-05 EP claimed
US-5925787-A Production of keto acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-07-20 US claimed
CN-1197062-A Production of keto acids CIBA SC HOLDING AG (CH) 1998-10-28 CN claimed
EP-0853079-A1 Production of keto acids Ciba SC Holding AG (CH) 1998-07-15 EP claimed
CN-100357258-C Production of keto acids CIBA SC HOLDING AG (CH) 2007-12-26 CN disclosed
CN-1301962-C Production of keto acids CIBA SC HOLDING AG (CH) 2007-02-28 CN disclosed
CN-1239642-C Anthraquinone compound and aqueous ink for inkjet recording using the same MITSUI CHEMICALS INC (JP) 2006-02-01 CN disclosed
CN-1575274-A Production of keto acids CIBA SC HOLDING AG (CH) 2005-02-02 CN disclosed
CN-1366543-A Anthraquinone compound and aqueous ink for inkjet recording using the same MITSUI CHEMICALS INC (JP) 2002-08-28 CN disclosed
CN-1197062-A Production of keto acids CIBA SC HOLDING AG (CH) 1998-10-28 CN disclosed