SCHEMBL9436671

SCHEMBL9436671

CC1(C)CCCC(C(N)(N)C2CCCCC2)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL735570 0.85 ALDH1A1 (0.40) ALDH1A1TDP1
SCHEMBL27227 0.75 THRB (0.33) ALDH1A1
SCHEMBL9618005 0.75 THRB (0.33) ALDH1A1
SCHEMBL12159412 0.72
SCHEMBL7546482 0.71 PTGS1 (0.30) ALDH1A1TDP1
SCHEMBL2906238 0.71 TRPA1 (0.37) ALDH1A1TDP1
SCHEMBL19114138 0.71
SCHEMBL31482316 0.68 TRPA1 (0.32)
SCHEMBL16218396 0.68
SCHEMBL15130187 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5376416-A A sealing composition from blocked isocyanates and polyamines is applied and baked; hermetic sealing BASF LACKE + FARBEN AKTIENGESELLSCHAFT (DE) 1994-12-27 US claimed
WO-2016098130-A1 EPOXY NOVOLAC COMPOSITES COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-06-23 WO disclosed
EP-0542766-A1 PROCESS FOR PRODUCING CLOSURES OF PACKAGING CONTAINERS. BASF LACKE & FARBEN (DE) 1993-05-26 EP disclosed
WO-1992002592-A1 PROCESS FOR PRODUCING CLOSURES OF PACKAGING CONTAINERS BASF LACKE + FARBEN AKTIENGESELLSCHAFT (DE) 1992-02-20 WO disclosed
EP-0459989-A1 PROCESS FOR THE PRODUCTION OF CLOSURES FOR PACKAGING CONTAINERS. BASF LACKE & FARBEN (DE) 1991-12-11 EP disclosed
WO-1990010041-A1 PROCESS FOR THE PRODUCTION OF CLOSURES FOR PACKAGING CONTAINERS BASF LACKE + FARBEN AKTIENGESELLSCHAFT (DE) 1990-09-07 WO disclosed