SCHEMBL6574124

SCHEMBL6574124

CC(C)C(C#N)O[C]=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
SCHEMBL3021981 0.72
SCHEMBL18126118 0.69
SCHEMBL3762454 0.68 TSHR (0.33)
SCHEMBL6574129 0.67
SCHEMBL271044 0.65
SCHEMBL13450 0.65
SCHEMBL7186086 0.65 TSHR (0.46)
SCHEMBL4047835 0.65 LMNA (0.39)
SCHEMBL9292 0.64
SCHEMBL18672378 0.64 SMN1; SMN2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0840741-B1 PNA-DNA CHIMERAS AND PNA SYNTHONS FOR THEIR PREPARATION PERSEPTIVE BIOSYSTEMS INC (US) 2004-04-28 EP claimed
JP-2001518054-A 2001-10-09 JP claimed
EP-0840741-A1 PNA-DNA CHIMERAS AND PNA SYNTHONS FOR THEIR PREPARATION PERSEPTIVE BIOSYSTEMS, INC. (US) 1998-05-13 EP claimed
WO-1996040709-A1 PNA-DNA CHIMERAS AND PNA SYNTHONS FOR THEIR PREPARATION PERSEPTIVE BIOSYSTEMS, INC. (US) 1996-12-19 WO claimed