SCHEMBL17976541

SCHEMBL17976541

Cc1cccc[nH+]1.F[B-](F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.35
▸ TSHR P16473 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
Dipyridyl SCHEMBL6466948 0.74 — —
SCHEMBL30116309 0.70 ACHE (0.33) ACHE
SCHEMBL1681880 0.68 ACHE (0.36) ACHE
SCHEMBL16415848 0.68 ALDH1A1 (0.36) ACHE
SCHEMBL28185832 0.67 — —
SCHEMBL22129788 0.65 TSHR (0.32) TSHR
Toluene SCHEMBL28233532 0.64 ACHE (0.73) ACHETSHR
Toluene SCHEMBL16742093 0.64 ACHE (0.73) ACHETSHR
Quinoline SCHEMBL6336123 0.63 CYP2A6 (0.32) —
SCHEMBL3351116 0.63 ACHE (0.32) ACHE

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-9844773-B2 Picolinamide-cinchona organocatalysts and derivatives UNIVERSIDADE DE EVORA (PT) 2017-12-19 — — US disclosed
US-20160236184-A1 NOVEL PICOLINAMIDE-CINCHONA ORGANOCATALYSTS AND DERIVATIVES UNIVERSIDADE DE EVORA (PT) 2016-08-18 — — US disclosed
EP-3055062-A1 NOVEL PICOLINAMIDE-CINCHONA ORGANOCATALYSTS AND DERIVATIVES Universidade de Évora (PT) 2016-08-17 — — 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 (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-20160236184-A1 NOVEL PICOLINAMIDE-CINCHONA ORGANOCATALYSTS AND DERIVATIVES KPNA2, MCM3, KPNA3 ACHE 1577/4885TSHR 4653/4885

“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.

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