Ammonia Solution, Strong

Ammonia Solution, Strong

SCHEMBL7095980

C(=C/COCc1ccccc1)\COCc1ccccc1.N.N

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
IDO1 P14902 2/20 0.52
AGXT P21549 2/20 0.50
ALOX5 P09917 1/20 0.50
TK1 P04183 1/20 0.49
MAOB P27338 1/20 0.44
CA1 P00915 4/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
TACR1 P25103 2/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL1524098 0.98 TSHR (0.67) TSHRIDO1AGXTALOX5TK1
SCHEMBL1524411 0.98 TSHR (0.67) TSHRIDO1AGXTALOX5TK1
SCHEMBL1524101 0.98 TSHR (0.67) TSHRIDO1AGXTALOX5TK1
SCHEMBL641214 0.89 TSHR (0.56) TSHRIDO1AGXTALOX5TK1
SCHEMBL8125435 0.89 TSHR (0.56) TSHRIDO1AGXTALOX5TK1
SCHEMBL641213 0.89 TSHR (0.56) TSHRIDO1AGXTALOX5TK1
SCHEMBL292313 0.87 TSHR (0.54) TSHRIDO1AGXTALOX5TK1
SCHEMBL12763795 0.87 TSHR (0.54) TSHRIDO1AGXTALOX5TK1
SCHEMBL2436225 0.87 TSHR (0.54) TSHRIDO1AGXTALOX5TK1
SCHEMBL2433172 0.87 TSHR (0.54) TSHRIDO1AGXTALOX5TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030171610-A1 Catalyst asymmetric desymmetrization of prochiral compounds DENG LI (US) 2003-09-11 US claimed
EP-1268368-A2 CATALYTIC ASYMMETRIC DESYMMETRIZATION OF MESO COMPOUNDS Brandeis University (US) 2003-01-02 EP claimed
US-20020038048-A1 Catalytic asymmetric desymmetrization of meso compounds BRANDEIS UNIVERSITY 2002-03-28 US claimed
WO-2001074741-A2 CATALYTIC ASYMMETRIC DESYMMETRIZATION OF MESO COMPOUNDS BRANDEIS UNIVERSITY (US) 2001-10-11 WO claimed

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

For each of this compound's patents that has machine-readable text (2 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-20020038048-A1 Catalytic asymmetric desymmetrization of meso compounds DNPH1, HDHD5, GNE TSHR 4572/4885IDO1 430/4885AGXT 79/4885
US-20030171610-A1 Catalyst asymmetric desymmetrization of prochiral compounds HPSE, HPD, APEH TSHR 4334/4885IDO1 988/4885AGXT 112/4885

“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.