SCHEMBL5737560

SCHEMBL5737560

CCCCC([BiH2])C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.38
CA2 P00918 7/20 0.36
MAPK1 P28482 1/20 0.36
CA1 P00915 4/20 0.34
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 3/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
FDPS P14324 1/20 0.32
LMNA P02545 1/20 0.32
OPRM1 P35372 1/20 0.31
SLC1A3 P43003 1/20 0.30
SLC1A2 P43004 1/20 0.30
SLC1A1 P43005 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
SCHEMBL4654399 0.77 DNM1 (0.41) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL18812607 0.71 FDPS (0.41) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL11496837 0.69 CA2 (0.42) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL597711 0.69 DNM1 (0.39) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL7928844 0.69 OPRM1 (0.43) DNM1CA2TSHRFDPSLMNA
SCHEMBL13016812 0.69 DNM1 (0.35) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL29690364 0.67 CA2 (0.33) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL6383487 0.67 CA2 (0.33) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL4609939 0.67 CA2 (0.38) DNM1CA2MAPK1CA1ALDH1A1
SCHEMBL23641692 0.67 FDPS (0.39) DNM1CA2MAPK1CA1ALDH1A1

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
EP-1680218-A2 SINGLE COMPONENT CATIONIC PALLADIUM PROINITIATORS FOR THE LATENT POLYMERIZATION OF CYCLOOLEFINS Promerus, LLC (US) 2006-07-19 EP claimed
WO-2005042147-A2 SINGLE COMPONENT CATIONIC PALLADIUM PROINITIATORS FOR THE LATENT POLYMERIZATION OF CYCLOOLEFINS PROMERUS, LLC (US) 2005-05-12 WO claimed