SCHEMBL6675331

SCHEMBL6675331

CC(C)[Ti](C1=CC=CC1)C1c2ccccc2-c2ccccc21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
GPR3 P46089 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
Hydrochloric Acid SCHEMBL8465909 0.98 MEN1 (0.31) MEN1POLBKMT2AATMGPR3
SCHEMBL7911396 0.78 MEN1 (0.33) MEN1POLBKMT2AATM
SCHEMBL6272387 0.75 GPR3 (0.31) GPR3
SCHEMBL8169459 0.75 GPR3 (0.31) GPR3
SCHEMBL6271161 0.75 POLB (0.33) POLBGPR3
Hydrochloric Acid SCHEMBL7637899 0.75 BCHE (0.30)
Hydrochloric Acid SCHEMBL7639609 0.74 GPR3 (0.30) GPR3
Hydrochloric Acid SCHEMBL7642111 0.74 GPR3 (0.30) GPR3
Hydrochloric Acid SCHEMBL7641166 0.74 POLB (0.33) POLBGPR3
SCHEMBL8469128 0.73 POLB (0.33) POLB

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-1461152-A1 BULKY BORATE ACTIVATORS ExxonMobil Chemical Patents Inc. (US) 2004-09-29 EP disclosed
WO-2003049856-A1 BULKY BORATE ACTIVATORS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-06-19 WO disclosed