SCHEMBL8033837

SCHEMBL8033837

O=C1C2CC[N+]12.O=C1CCC[N]1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL2829 0.76
SCHEMBL2338 0.69
SCHEMBL1023703 0.67
SCHEMBL11473398 0.67 TRIM24 (0.40)
SCHEMBL9415911 0.67 TRIM24 (0.40)
SCHEMBL3882820 0.67 TRIM24 (0.40)
SCHEMBL5856682 0.63
SCHEMBL411470 0.61
SCHEMBL5254542 0.58
SCHEMBL5855783 0.58

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0987549-A2 Test composition for determining the compatibility of biologically active materials with polyvinylpyrrolidone BASF AKTIENGESELLSCHAFT (DE) 2000-03-22 EP claimed
EP-0934080-A2 1,3-BIS-(N-LACTAMYL) PROPANE AND THE PHARMACEUTICAL AND COSMETIC USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1999-08-11 EP disclosed
WO-1998015291-A1 1,3-BIS-(N-LACTAMYL) PROPANE AND THE PHARMACEUTICAL AND COSMETIC USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 1998-04-16 WO disclosed