SCHEMBL5086158

SCHEMBL5086158

CC1=C(CO)C(=O)CC1

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
SCHEMBL11764576 0.81 ALDH1A1 (0.33)
SCHEMBL14594115 0.79 ALDH1A1 (0.32)
SCHEMBL17691257 0.78 LMNA (0.36)
SCHEMBL11800952 0.77
SCHEMBL10385817 0.73 GAA (0.36)
SCHEMBL13886351 0.73 ALDH1A1 (0.30)
SCHEMBL440861 0.72 DHODH (0.38)
SCHEMBL11125815 0.72 ALDH1A1 (0.33)
SCHEMBL2627736 0.70
SCHEMBL2472518 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113773287-B Bioactive secondary metabolite and preparation and application thereof 中国科学院沈阳应用生态研究所 2023-06-16 CN disclosed
EP-1532181-B1 FULVENE AND PREPARATION THEREOF LG CHEMICAL LTD (KR) 2016-03-16 EP disclosed
US-7439378-B2 Fulvene, metallocene catalysts and preparation method thereof, and preparation of polyolefines copolymer using the same LG CHEM, LTD. (KR) 2008-10-21 US disclosed
US-7271277-B2 Fulvene, metallocene catalysts and preparation method thereof, and preparation of polyolefines copolymer using the same LG CHEM, LTD. (KR) 2007-09-18 US disclosed
US-20070185291-A1 FULVENE, METALLOCENE CATALYSTS AND PREPARATION METHOD THEREOF, AND PREPARATION OF POLYOLEFINES COPOLYMER USING THE SAME LG CHEM, LTD. (KR) 2007-08-09 US disclosed
EP-1532181-A4 FULVENE, METALLOCENE CATALYSTS AND PREPARATION METHOD THEREOF, AND PREPARATION OF POLYOLEFINES COPOLYMER USING THE SAME LG CHEMICAL LTD (KR) 2006-06-28 EP disclosed
EP-1532181-A1 FULVENE, METALLOCENE CATALYSTS AND PREPARATION METHOD THEREOF, AND PREPARATION OF POLYOLEFINES COPOLYMER USING THE SAME LG Chem, Ltd. (KR) 2005-05-25 EP disclosed
US-20050004385-A1 Fulvene, metallocene catalysts and preparation method thereof, and preparation of polyolefines copolymer using the same LG CHEM, LTD. (KR) 2005-01-06 US disclosed
WO-2004020481-A1 FULVENE, METALLOCENE CATALYSTS AND PREPARATION METHOD THEREOF, AND PREPARATION OF POLYOLEFINES COPOLYMER USING THE SAME LG CHEM, LTD. (KR) 2004-03-11 WO disclosed