SCHEMBL1700957

SCHEMBL1700957

O=[N+]([O-])C(CCl)(CCl)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.33

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
SCHEMBL31669632 0.73 TSHR (0.44) TSHRALDH1A1TDP1LMNA
SCHEMBL11528170 0.71 TSHR (0.50) TSHRALDH1A1TDP1LMNA
SCHEMBL9800181 0.71
SCHEMBL11326956 0.69
SCHEMBL1700892 0.67 LMNA (0.52) TSHRALDH1A1TDP1LMNA
SCHEMBL9452595 0.67 TSHR (0.44) TSHRALDH1A1TDP1LMNA
SCHEMBL9481038 0.65
SCHEMBL30762097 0.65 TSHR (0.50) TSHRALDH1A1TDP1
SCHEMBL15494056 0.63 LMNA (0.42) TSHRALDH1A1TDP1LMNA
SCHEMBL21244269 0.63 TSHR (0.35) TSHRALDH1A1TDP1LMNA

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-8841468-B2 Synthesis of an azido energetic alcohol PHYSICAL SCIENCES, INC. (US) 2014-09-23 US disclosed
WO-2011162859-A1 SYNTHESIS OF AN AZIDO ENERGETIC ALCOHOL PHYSICAL SCIENCES, INC. (US) 2011-12-29 WO disclosed
US-20110319643-A1 Synthesis of an Azido Energetic Alcohol PHYSICAL SCIENCES, INC. (US) 2011-12-29 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-20110319643-A1 Synthesis of an Azido Energetic Alcohol ADH1A, ADH1C, STS TSHR 2520/4885ALDH1A1 36/4885TDP1 4207/4885

“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.