SCHEMBL3704368

SCHEMBL3704368

C/C=C/C(=O)OC(CCN=C=O)COCCO

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
SCHEMBL3697109 0.97
SCHEMBL3701780 0.84 PRKCA (0.31)
Crotonic Acid SCHEMBL3704369 0.77
Crotonic Acid SCHEMBL3697111 0.75
Di(Hydroxyethyl)Ether SCHEMBL3704367 0.71
Triethylene Glycol SCHEMBL3697107 0.70 MEN1 (0.31)
SCHEMBL3693096 0.70 TSHR (0.31)
SCHEMBL3697115 0.68 ATM (0.38)
SCHEMBL3697117 0.68 ATM (0.38)
SCHEMBL3688871 0.67 MEN1 (0.37)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795353-B2 Method for producing a modified propylene polymer SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-09-14 US disclosed
US-20060148995-A1 Method for producing a modified propylene polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-07-06 US disclosed