SCHEMBL17866247

SCHEMBL17866247

CC1(C)C#CC(C)(C)C1=O

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
SCHEMBL2689498 0.65
SCHEMBL15659901 0.61 ALDH1A1 (0.30)
SCHEMBL820210 0.61 CTSD (0.32)
SCHEMBL3626473 0.61 CTSD (0.32)
SCHEMBL15658134 0.56
SCHEMBL10453952 0.54
SCHEMBL16582527 0.54 CTSD (0.39)
SCHEMBL2692984 0.54 KDM4E (0.31)
SCHEMBL15829472 0.54
SCHEMBL3132852 0.54

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
EP-3037441-B1 POLYOLEFIN LG CHEMICAL LTD (KR) 2023-11-22 EP disclosed
WO-2022203389-A1 OLEFIN-BASED POLYMER 주식회사 엘지화학 2022-09-29 WO disclosed
WO-2022005257-A1 OLEFIN-BASED POLYMER 주식회사 엘지화학 2022-01-06 WO disclosed
US-9701768-B2 Polyolefin LG CHEM, LTD. (KR) 2017-07-11 US disclosed
US-20160222144-A1 POLYOLEFIN LG CHEM, LTD. (KR) 2016-08-04 US disclosed
EP-3037441-A1 POLYOLEFIN LG Chem, Ltd. (KR) 2016-06-29 EP disclosed