SCHEMBL404044

SCHEMBL404044

C#CCCC(O)C=C

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
SCHEMBL404043 1.00
SCHEMBL15803218 0.86
SCHEMBL15803219 0.86
SCHEMBL25997198 0.86
SCHEMBL5334318 0.75
SCHEMBL4929111 0.74 SLC6A2 (0.36)
SCHEMBL3410841 0.74
SCHEMBL11619528 0.71
SCHEMBL3226129 0.70
SCHEMBL16509441 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12173026-B2 PRMT5 inhibitors MERCK SHARP & DOHME LLC (US) 2024-12-24 US disclosed
CN-112805006-B PRMT5 inhibitors 默沙东有限责任公司 2024-09-24 CN disclosed
US-20230062119-A1 USE OF BIOMARKERS IN IDENTIFYING PATIENTS THAT WILL BE RESPONSIVE TO TREATMENT WITH A PRMT5 INHIBITOR MERCK SHARP & DOHME LLC (US) 2023-03-02 US disclosed
US-20220363707-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2022-11-17 US disclosed
EP-3833355-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-06-16 EP disclosed
CN-112805006-A PRMT5 inhibitor 默沙东公司 2021-05-14 CN disclosed
WO-2020033288-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-02-13 WO disclosed
US-20150045574-A1 METHODS FOR MAKING VALERENIC ACID DERIVATIVES AND THEIR USE VALERICON GMBH (AT) 2015-02-12 US disclosed
US-8809395-B2 Methods for making valerenic acid derivatives and their use VALERICON GMBH (AT) 2014-08-19 US disclosed
US-20120022283-A1 METHODS FOR MAKING VALERENIC ACID DERIVATIVES AND THEIR USE VALERICON GMBH (AT) 2012-01-26 US disclosed