SCHEMBL4876952

SCHEMBL4876952

CC[N+](C)(CC)CC.COS(=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BBOX1 O75936 1/20 0.32

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
SCHEMBL4893325 0.86 — —
SCHEMBL1619242 0.73 — —
Potassium Ion SCHEMBL27536427 0.73 — —
Zinc Ion SCHEMBL11519946 0.73 — —
SCHEMBL11522331 0.73 — —
Lithium Ion SCHEMBL3701330 0.73 — —
Water SCHEMBL1219279 0.70 — —
SCHEMBL11424841 0.69 BBOX1 (0.38) BBOX1
SCHEMBL151455 0.69 — —
SCHEMBL2229655 0.68 BBOX1 (0.46) BBOX1

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-20080033209-A1 Method For High-Purity Quaternary Ammonium Compounds BASF AKTIENGSELLSCHAFT (DE) 2008-02-07 — — US disclosed
US-20080009633-A1 Method for Producing High-Purity Quaternary Ammonium Compounds BASF AKTIENGESELLSCHAFT (DE) 2008-01-10 — — 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 (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-20080033209-A1 Method For High-Purity Quaternary Ammonium Compounds ATL3, SMYD3, SP1 BBOX1 3638/4885
US-20080009633-A1 Method for Producing High-Purity Quaternary Ammonium Compounds SP1, EIF3A, EIF3H BBOX1 4160/4885

“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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