Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL1033675

CC(=O)OC(C)(C(C)C)C(C)C.N

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
TSHR P16473 3/20 0.39
CTSK P43235 1/20 0.34
ALDH1A1 P00352 3/20 0.33
CYP2C19 P33261 1/20 0.33
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 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
SCHEMBL20361867 0.97 GAA (0.44) GAATSHRCTSKALDH1A1CYP2C19
SCHEMBL1107368 0.74 GAA (0.44) GAATSHRALDH1A1CYP2C19CHRM2
SCHEMBL9219357 0.74 GAA (0.39) GAATSHRALDH1A1CYP2C19
Ammonia Solution, Strong SCHEMBL6253681 0.73
Isopropyl Alcohol SCHEMBL29056269 0.72 GAA (0.42) GAATSHRALDH1A1CYP2C19
SCHEMBL4913885 0.72 CTSK (0.38) CTSKALDH1A1
SCHEMBL11001316 0.72 CTSK (0.34) TSHRCTSKCHRM2CHRM4CHRM1
Ammonia Solution, Strong SCHEMBL5360181 0.72 CTSK (0.32) CTSK
SCHEMBL7719672 0.72 TSHR (0.45) TSHRCTSKALDH1A1
SCHEMBL18196094 0.70 GAA (0.37) GAATSHRALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178710-A1 SYNTHESIS OF CYCLIC DIGUANOSINE MONOPHOSPHATE AND THIOPHOSPHATE ANALOGS THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2012-07-12 US disclosed
EP-2448954-A1 SYNTHESIS OF CYCLIC DIGUANOSINE MONOPHOSPHATE AND THIOPHOSPHATE ANALOGS THEREOF Rutgers, The State University of New Jersey (US) 2012-05-09 EP disclosed
WO-2011003025-A1 SYNTHESIS OF CYCLIC DIGUANOSINE MONOPHOSPHATE AND THIOPHOSPHATE ANALOGS THEREOF RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2011-01-06 WO 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 (1 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-20120178710-A1 SYNTHESIS OF CYCLIC DIGUANOSINE MONOPHOSPHATE AND THIOPHOSPHATE ANALOGS THEREOF TYMP, DTYMK, MTAP GAA 1291/4885TSHR 1548/4885CTSK 4784/4885

“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.