SCHEMBL3672456

SCHEMBL3672456

CC(N)(N)C12CCC(CC1)C2

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL468321 0.79 ALDH1A1 (0.30) ALDH1A1
SCHEMBL7159145 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL5366234 0.75
SCHEMBL3286940 0.75
SCHEMBL18638622 0.71
SCHEMBL5413717 0.67
SCHEMBL3074098 0.65
SCHEMBL6309115 0.65
SCHEMBL15733208 0.64
SCHEMBL299469 0.63 GRIN2D (0.41) ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1426392-B1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL CO (JP) 2010-02-24 EP disclosed
US-6960640-B2 Composition for optical material MITSUBISHI GAS CHEMICAL CO., LTD. (JP) 2005-11-01 US disclosed
US-20040147708-A1 Composition for optical material MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-07-29 US disclosed
EP-1426392-A1 COMPOSITION FOR OPTICAL MATERIAL MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2004-06-09 EP disclosed
US-3980615-A METAL SALT OF A PHOSPHINIC ACID DERIVATIVE HOECHST AKTIENGESELLSCHAFT (DT) 1976-09-14 US disclosed