SCHEMBL822328

SCHEMBL822328

C[C@@H]1C=C[C@H](C)[C@@H]2C(=O)CC(=O)[C@@H]21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.31
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CRBN Q96SW2 1/20 0.31

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
SCHEMBL13216027 1.00 POLB (0.31) POLBCTDSP1TDP1CRBN
SCHEMBL21909372 0.73 POLB (0.35) POLBCTDSP1TDP1
SCHEMBL14116733 0.71 ALDH1A1 (0.42) POLB
SCHEMBL25497710 0.69 ALDH1A1 (0.36) POLB
SCHEMBL14318135 0.69
SCHEMBL6520813 0.67 TDP1 (0.39) POLBCTDSP1TDP1
SCHEMBL18874109 0.67 ATM (0.42) POLB
SCHEMBL432513 0.67 ALDH1A1 (0.50) POLBTDP1
SCHEMBL449523 0.67 POLB (0.42) POLBTDP1
SCHEMBL431044 0.67 POLB (0.42) POLBTDP1

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-8415496-B2 Biobased polyesters Amyris, Inc. 2013-04-09 US disclosed
US-20110288263-A1 BIOBASED POLYESTERS DRATHS CORPORATION (US) 2011-11-24 US disclosed