SCHEMBL8775258

SCHEMBL8775258

CC1=C(C)C(C)=C([Ti+2]C2=C(C)C(C)=C(C)C2)C1.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 SCHEMBL394689 0.92
SCHEMBL4577644 0.92
SCHEMBL4577219 0.68
SCHEMBL337603 0.67
SCHEMBL7194087 0.64
SCHEMBL31275771 0.64
SCHEMBL8157241 0.59
Hydrochloric Acid SCHEMBL396573 0.57
SCHEMBL6060725 0.55
SCHEMBL6676276 0.55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584646-B1 Process for producing styrenic polymer IDEMITSU PETROCHEMICAL CO (JP) 1997-11-12 EP disclosed
EP-0492282-B1 Process for producing a styrene polymer IDEMITSU KOSAN CO (JP) 1997-05-14 EP disclosed
US-5597879-A Process for producing styrenic polymer IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0535582-B1 Process for producing styrenic polymer IDEMITSU PETROCHEMICAL CO (JP) 1996-12-18 EP disclosed
US-5306790-A Process for producing styrenic polymer IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1994-04-26 US disclosed
EP-0584646-A2 Process for producing styrenic polymer IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1994-03-02 EP disclosed
EP-0535582-A1 Process for producing styrenic polymer IDEMITSU PETROCHEMICAL CO., LTD. (JP) 1993-04-07 EP disclosed
EP-0492282-A1 Process for producing a styrene polymer and a catalyst for use therein IDEMITSU KOSAN COMPANY LIMITED (JP) 1992-07-01 EP disclosed