Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL738865

CCOC(=O)C1(C(C)C#N)CC1.N

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
TSHR P16473 1/20 0.34
POLB P06746 1/20 0.33
OPRM1 P35372 7/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
OPRD1 P41143 3/20 0.31
OPRK1 P41145 3/20 0.31
GAA P10253 1/20 0.31
SLC22A1 O15245 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
KCNH2 Q12809 1/20 0.31
ATM Q13315 1/20 0.31
KCNA3 P22001 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL740875 0.84 ALOX15 (0.33)
Benzamide SCHEMBL739507 0.81 OPRM1 (0.40) TSHRPOLBOPRM1SMN1; SMN2MEN1
SCHEMBL7862903 0.81 ALDH1A1 (0.35) ALDH1A1TSHRPOLBOPRM1SMN1; SMN2
SCHEMBL16384809 0.81 ALDH1A1 (0.35) ALDH1A1TSHRPOLBOPRM1SMN1; SMN2
SCHEMBL12868735 0.77 ALDH1A1 (0.39) ALDH1A1POLBOPRM1SMN1; SMN2MEN1
SCHEMBL29067375 0.74 ALOX15 (0.38) ALDH1A1POLBOPRM1SMN1; SMN2MEN1
SCHEMBL29067373 0.74 ALOX15 (0.38) ALDH1A1POLBOPRM1SMN1; SMN2MEN1
SCHEMBL7864747 0.73 SMN1; SMN2 (0.35) ALDH1A1TSHRPOLBOPRM1SMN1; SMN2
SCHEMBL1752432 0.73 ALDH1A1 (0.30) ALDH1A1TSHR
SCHEMBL1257005 0.72 OPRM1 (0.38) ALDH1A1POLBOPRM1SMN1; SMN2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378119-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2013-02-19 US disclosed
US-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-8138352-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-03-20 US disclosed
US-20110144339-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-06-16 US disclosed
US-7928232-B2 Method for producing asymmetric tetrasubstituted carbon atom-containing compound DAIICHI SANKYO COMPANY, LIMITED (JP) 2011-04-19 US disclosed
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-02-26 US disclosed
EP-1882685-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND Daiichi Sankyo Company, Limited (JP) 2008-01-30 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120172605-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND DHPS, COASY, NQO2 ALDH1A1 1679/4885TSHR 3042/4885POLB 4119/4885
US-20110144339-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, NQO2, COASY ALDH1A1 1202/4885TSHR 3648/4885POLB 4113/4885
US-20090054648-A1 METHOD FOR PRODUCING ASYMMETRIC TETRASUBSTITUTED CARBON ATOM-CONTAINING COMPOUND ACSL3, ARL1, NQO2 ALDH1A1 614/4885TSHR 2836/4885POLB 3640/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.