SCHEMBL8773710

SCHEMBL8773710

[CH2]CN(C)CCN(C)CCN(C)CCN(C)CC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.40
CA2 P00918 1/20 0.40
CA3 P07451 1/20 0.40
CA4 P22748 1/20 0.40
CA6 P23280 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CA5B Q9Y2D0 1/20 0.40
MAPT P10636 1/20 0.32
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
TSHR P16473 1/20 0.30
HTT P42858 1/20 0.30
HBB P68871 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
SCHEMBL146748 1.00 CA12 (0.40) CA12CA2CA3CA4CA6
SCHEMBL149261 0.97 CA12 (0.35) CA12CA2CA3CA4CA6
SCHEMBL4257773 0.87 CA12 (0.50) CA12CA2CA3CA4CA6
SCHEMBL4259471 0.84 CA12 (0.44) CA12CA2CA3CA4CA6
SCHEMBL29582031 0.84 CA12 (0.53) CA12CA2CA3CA4CA6
SCHEMBL14565654 0.84 CA12 (0.53) CA12CA2CA3CA4CA6
SCHEMBL120477 0.81
SCHEMBL1948689 0.80 CA12 (0.47) CA12CA2CA3CA4CA6
SCHEMBL147840 0.79 CA12 (0.69) CA12CA2CA3CA4CA6
SCHEMBL185233 0.79 CA12 (0.69) CA12CA2CA3CA4CA6

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
EP-0680627-B1 ELECTROSTATIC TONERS CONTAINING AMINODIACETIC ACID DERIVATIVES BASF AG (DE) 1997-10-29 EP disclosed
US-5663028-A POLYMER BINDERS AND CHARGE STABILIZER WITH COLORS BASF AKTIENGESELLSCHAFT (DE) 1997-09-02 US disclosed
EP-0680627-A1 ELECTROSTATIC TONERS CONTAINING AMINODIACETIC ACID DERIVATIVES. BASF AG (DE) 1995-11-08 EP disclosed
WO-1995005624-A1 ELECTROSTATIC TONERS CONTAINING AMINODIACETIC ACID DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1995-02-23 WO disclosed