Sugi Predict

Sugi Predict / Compounds / SCHEMBL6944576

SCHEMBL6944576

SCHEMBL6944576

CC(C)(C)c1cc(C2=Cc3cc([Si](C)(C)C)ccc3C2[Zr]C2C(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)=Cc3cc([Si](C)(C)C)ccc32)cc(C(C)(C)C)c1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 1/20 0.32
▸ S1PR3 Q99500 1/20 0.32

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
SCHEMBL6945629 0.85 RXRA (0.32) S1PR1S1PR3
SCHEMBL6944473 0.82 S1PR1 (0.32) S1PR1S1PR3
Hydrochloric Acid SCHEMBL6942775 0.82 S1PR1 (0.35) S1PR1S1PR3
SCHEMBL6944595 0.81 S1PR1 (0.31) S1PR1S1PR3
Hydrochloric Acid SCHEMBL6938442 0.81 S1PR1 (0.34) S1PR1S1PR3
SCHEMBL6943794 0.80 S1PR1 (0.31) S1PR1S1PR3
SCHEMBL6942779 0.80 S1PR1 (0.31) S1PR1S1PR3
SCHEMBL7023536 0.79 RXRA (0.32) S1PR1S1PR3
SCHEMBL6944235 0.76 RXRB (0.31) —
SCHEMBL7639595 0.76 S1PR1 (0.31) S1PR1S1PR3

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-1157047-B1 LIGANDS AND CATALYSTS FOR PRODUCING ELASTOMERIC PROPYLENE POLYMERS BP CORP NORTH AMERICA INC (US) 2003-04-23 — — EP claimed
US-6479424-B1 FOR PRODUCING OLEFIN POLYMERS AND ESPECIALLY ELASTOMERIC PROPYLENE POLYMERS BP CORPORATION NORTH AMERICA INC. 2002-11-12 — — US disclosed