SCHEMBL2889606

SCHEMBL2889606

O=C(O)C=C(CC(Br)CBr)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 2/20 0.34
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 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
SCHEMBL2889602 1.00 TSHR (0.45) TSHRKDM4EALDH1A1GRIK1GRIK2
SCHEMBL5455589 0.73 KDM4E (0.52) TSHRKDM4EGRIK1GRIK2
SCHEMBL2855637 0.73 KDM4E (0.52) TSHRKDM4EGRIK1GRIK2
SCHEMBL8607102 0.73 KDM4E (0.52) TSHRKDM4EGRIK1GRIK2
SCHEMBL8081159 0.72 TSHR (0.56) TSHRKDM4E
SCHEMBL8081154 0.72 TSHR (0.56) TSHRKDM4E
SCHEMBL9230973 0.72 TSHR (0.56) TSHRKDM4E
SCHEMBL3627155 0.71 KDM4E (0.50) TSHRKDM4EALDH1A1GRIK1GRIK2
SCHEMBL3627154 0.71 KDM4E (0.50) TSHRKDM4EALDH1A1GRIK1GRIK2
SCHEMBL7700265 0.71 KDM4E (0.50) TSHRKDM4EALDH1A1GRIK1GRIK2

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-20100285313-A1 MICROENCAPSULATED FIRE RETARDANTS AND THE USES THEREOF ETERNAL CHEMICAL CO., LTD. (TW) 2010-11-11 US claimed
WO-2022118246-A1 ENCAPSULATED FIRE RETARDANT AND RELATED COMPOSITIONS AND PROCESSES 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-06-09 WO disclosed