SCHEMBL4372085

SCHEMBL4372085

CC=C(C)C(=O)OC(=O)CCC(=O)OC(=O)C(C)=CC

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
TSHR P16473 2/20 0.38
TDP1 Q9NUW8 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA1A P35348 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL5138047 0.91 TSHR (0.37) ALDH1A1TSHR
SCHEMBL5866441 0.85 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL6836609 0.85 ALDH1A1 (0.36) ALDH1A1TSHRTDP1
SCHEMBL2893058 0.85 HPGD (0.33) ALDH1A1
SCHEMBL27765915 0.83 TSHR (0.45) ALDH1A1TSHRTDP1
SCHEMBL15255052 0.83 ALDH1A1 (0.35) ALDH1A1TDP1
SCHEMBL273140 0.82 DGKA (0.50) ALDH1A1TSHR
SCHEMBL8620268 0.81 MGAM (0.32)
SCHEMBL1902884 0.81
SCHEMBL27902952 0.81 MGAM (0.48) ALDH1A1TDP1

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
US-7625580-B1 Semi-interpenetrating or interpenetrating polymer networks for drug delivery and tissue engineering MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2009-12-01 US disclosed
US-6224893-B1 WOUND HEALING AGENT MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2001-05-01 US disclosed
EP-1011633-A1 SEMI-INTERPENETRATING OR INTERPENETRATING POLYMER NETWORKS FOR DRUG DELIVERY AND TISSUE ENGINEERING MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2000-06-28 EP disclosed
WO-1998052543-A1 SEMI-INTERPENETRATING OR INTERPENETRATING POLYMER NETWORKS FOR DRUG DELIVERY AND TISSUE ENGINEERING MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1998-11-26 WO disclosed