SCHEMBL4733433

SCHEMBL4733433

CC(C(=O)O)C1(C)C2C=CC(C2)C1C1C2CC3CC(C2)CC1C3

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
SCHEMBL2477133 0.77 TDP1 (0.40)
SCHEMBL6468952 0.69 ALDH1A1 (0.37)
SCHEMBL12302964 0.67 HSD11B1 (0.39)
SCHEMBL6764223 0.66 MAPK1 (0.32)
SCHEMBL14639733 0.62 TP53 (0.35)
SCHEMBL1089252 0.56 ALDH1A1 (0.50)
SCHEMBL14899039 0.56 EPHX2 (0.46)
SCHEMBL1499930 0.56 EPHX2 (0.46)
SCHEMBL15149727 0.56 ALDH1A1 (0.50)
SCHEMBL8996568 0.56 TDP1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008066306-A1 NORBORNENE POLYMER OR COPOLYMER AND METHOD OF PREPARING THE SAME KOLON INDUSTRIES, INC. (KR) 2008-06-05 WO disclosed
WO-2007100223-A1 NORBORNENE-ESTER POLYMER CONTAINING BULKY SUBSTITUENTS KOLON INDUSTRIES, INC. (KR) 2007-09-07 WO disclosed