Tetrabuthylammonium

Tetrabuthylammonium

SCHEMBL3029322

CCCC[N+](CCCC)(CCCC)CCCC.Clc1nc(Cl)c2nc[nH]c2n1

nearest known ligand 0.34

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC22A1 O15245 2/20 0.34
POLA1 P09884 1/20 0.33
XDH P47989 3/20 0.31
SLC22A2 O15244 1/20 0.31
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CCNA1 P78396 1/20 0.30
KCNH2 Q12809 1/20 0.30
KMT2A Q03164 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
SCHEMBL37383 0.81 XDH (0.38) XDHKMT2A
SCHEMBL11456966 0.79 XDH (0.37) XDH
Tetrabuthylammonium SCHEMBL3029323 0.77 POLA1 (0.48) POLA1XDHCDK1CCNB1CCNA2
SCHEMBL9882917 0.74 HDAC1 (0.42) XDHCDK1CCNB1KMT2A
SCHEMBL9278627 0.74 KMT2A (0.44) POLA1XDHCDK1CCNB1KMT2A
SCHEMBL12963516 0.69 HTT (0.44) XDHKMT2A
SCHEMBL7110908 0.68 XDH (0.41) XDHCDK1
SCHEMBL4451632 0.68 XDH (0.40) XDH
Purine SCHEMBL10869620 0.67 RPS6KA5 (0.33)
Hydrochloric Acid SCHEMBL6657448 0.66 PDK2 (0.37) XDH

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
CN-101848891-A Preparation of synthetic nucleosides by pi-allyl transition metal complex formation UNIV EMORY 2010-09-29 CN disclosed
US-20100204463-A1 Preparation Of Synthetic Nucleosides via Pi-Allyl Transition Metal Complex Formation EMORY UNIVERSITY 2010-08-12 US disclosed
EP-2185508-A1 PREPARATION OF SYNTHETIC NUCLEOSIDES VIA pi-ALLYL TRANSITION METAL COMPLEX FORMATION Emory University (US) 2010-05-19 EP disclosed
WO-2009021114-A1 PREPARATION OF SYNTHETIC NUCLEOSIDES VIA π-ALLYL TRANSITION METAL COMPLEX FORMATION EMORY UNIVERSITY (US) 2009-02-12 WO 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-20100204463-A1 Preparation Of Synthetic Nucleosides via Pi-Allyl Transition Metal Complex Formation PAICS, POLRMT, ZC3HAV1 SLC22A1 2279/4885POLA1 22/4885XDH 1752/4885

“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.