Acetonitrile

Acetonitrile

SCHEMBL15940238

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nearest known ligand 0.33

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA1 P00915 4/20 0.30
CA2 P00918 4/20 0.30
CA5A P35218 1/20 0.30
CA9 Q16790 1/20 0.30
CA5B Q9Y2D0 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
Acetonitrile SCHEMBL9838754 1.00 TSHR (0.33) TSHRALDH1A1CA1CA2CA5A
Acetonitrile SCHEMBL19376785 1.00 TSHR (0.33) TSHRALDH1A1CA1CA2CA5A
Acetonitrile SCHEMBL288686 1.00
Acetonitrile SCHEMBL9935942 1.00 TSHR (0.33) TSHRALDH1A1CA1CA2CA5A
Acetonitrile SCHEMBL490215 1.00
Acetonitrile SCHEMBL25284595 1.00 TSHR (0.33) TSHRALDH1A1CA1CA2CA5A
Acetonitrile SCHEMBL27867164 1.00
Acetonitrile SCHEMBL167513 1.00
Acetonitrile SCHEMBL1571600 1.00
Acetonitrile SCHEMBL2186630 0.94

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409940-B2 Preparation process of erythromycin thiocyanate HEC PHARM CO., LTD. (CN) 2016-08-09 US disclosed
US-20140228555-A1 PREPARATION PROCESS OF ERYTHROMYCIN THIOCYANATE HEC PHARM CO., LTD (CN) 2014-08-14 US 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-20140228555-A1 PREPARATION PROCESS OF ERYTHROMYCIN THIOCYANATE TPMT, TST, SRP9 TSHR 1007/4885ALDH1A1 4158/4885CA1 4584/4885

“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.