SCHEMBL8459161

SCHEMBL8459161

CC1=C(C)C(C)(C)C([Ti+2](NC=O)NC=O)=C1C.C[O-].C[O-]

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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 SCHEMBL8675589 0.65
Hydrochloric Acid SCHEMBL7947952 0.61 CTSD (0.30)
SCHEMBL8678255 0.60
SCHEMBL2230540 0.59 CTSD (0.43)
SCHEMBL8040455 0.56 CTSD (0.32)
SCHEMBL6933930 0.56 CTSD (0.32)
SCHEMBL6934328 0.56 CTSD (0.32)
Formic Acid SCHEMBL31237096 0.56
SCHEMBL1098899 0.54 CTSD (0.32)
SCHEMBL1097446 0.54 CTSD (0.32)

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0769504-B1 PROCESS FOR PRODUCING STYRENIC POLYMER IDEMITSU KOSAN CO (JP) 1999-11-24 EP disclosed
US-5824753-A MULTISTAGE POLYMERIZATION TO PRODUCE SYNDIOTACTIC CONFIGURATION, HYDROGEN INTRODUCED IN ONE STAGE IDEMITSU KOSAN CO., LTD. (JP) 1998-10-20 US disclosed
US-5807940-A Catalyst for polymerization and process for producing a styrenic polymer by using the catalyst IDEMITSU KOSAN CO., LTD. (JP) 1998-09-15 US disclosed
EP-0739905-B1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING STYRENE POLYMER THEREWITH IDEMITSU KOSAN CO (JP) 1998-07-08 EP disclosed
EP-0769504-A1 PROCESS FOR PRODUCING STYRENIC POLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1997-04-23 EP disclosed
EP-0739905-A1 POLYMERIZATION CATALYST AND PROCESS FOR PRODUCING STYRENE POLYMER THEREWITH IDEMITSU KOSAN COMPANY LIMITED (JP) 1996-10-30 EP disclosed