SCHEMBL29935330

SCHEMBL29935330

CC(=O)C(C)C=O.[Na]

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
SCHEMBL1741701 0.97
SCHEMBL217613 0.94
SCHEMBL29586923 0.94
SCHEMBL28720268 0.94
SCHEMBL28710016 0.94
SCHEMBL20237364 0.73 TP53 (0.32)
SCHEMBL28019212 0.73
Isobutyraldehyde SCHEMBL9246259 0.71 FFAR3 (0.38)
SCHEMBL18335406 0.71
SCHEMBL60935 0.71

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-3762392-B1 THIENOPYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME WELLMARKER BIO CO LTD (KR) 2024-05-15 EP disclosed
US-11447500-B2 Thienopyridine derivatives and pharmaceutical composition comprising same WELLMARKER BIO CO., LTD. (KR) 2022-09-20 US disclosed
US-20220288043-A1 THIENOPYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING SAME WELLMARKER BIO CO, LTD. (KR) 2022-09-15 US disclosed