SCHEMBL4576530

SCHEMBL4576530

C1=CCC([Hf]C2=CC=CC2)=C1.[H-].[H-]

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 SCHEMBL5481533 0.97
Bromide SCHEMBL8712335 0.97
SCHEMBL539151 0.97
Bromide SCHEMBL7888005 0.94
Hydrochloric Acid SCHEMBL138985 0.94
Fluoride SCHEMBL7642269 0.94
Bromide SCHEMBL8712554 0.94
Methane SCHEMBL8381074 0.94
Iodide SCHEMBL8155731 0.94
Hydrochloric Acid SCHEMBL3907074 0.94

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10961327-B2 Method for producing hydrogenated conjugated diene-based polymer, hydrogenated conjugated diene-based polymer, polymer composition, cross-linked polymer, and tire JSR CORPORATION (JP) 2021-03-30 US disclosed
EP-3351563-B1 METHOD FOR PRODUCING HYDROGENATED CONJUGATED DIENE POLYMER, HYDROGENATED CONJUGATED DIENE POLYMER, POLYMER COMPOSITION, CROSS-LINKED POLYMER, AND TIRE JSR CORP (JP) 2019-11-06 EP disclosed
US-10072114-B2 Method for producing modified conjugated diene polymer, polymer composition, crosslinked polymer and tire JSR CORPORATION (JP) 2018-09-11 US disclosed
US-20180251576-A1 METHOD FOR PRODUCING HYDROGENATED CONJUGATED DIENE-BASED POLYMER, HYDROGENATED CONJUGATED DIENE-BASED POLYMER, POLYMER COMPOSITION, CROSS-LINKED POLYMER, AND TIRE JSR CORPORATION (JP) 2018-09-06 US disclosed
EP-3351563-A1 METHOD FOR PRODUCING HYDROGENATED CONJUGATED DIENE POLYMER, HYDROGENATED CONJUGATED DIENE POLYMER, POLYMER COMPOSITION, CROSS-LINKED POLYMER, AND TIRE JSR Corporation (JP) 2018-07-25 EP disclosed
US-20150252133-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, POLYMER COMPOSITION, CROSSLINKED POLYMER AND TIRE JSR CORPORATION (JP) 2015-09-10 US disclosed
EP-2902415-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, POLYMER COMPOSITION, CROSSLINKED POLYMER AND TIRE JSR Corporation (JP) 2015-08-05 EP disclosed
US-7332551-B2 Partially fluorinated naphthyl-based borates EXXONMOBIL CHEMICAL PATENTS INC. (US) 2008-02-19 US disclosed
EP-1448568-A4 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS EXXONMOBIL CHEM PATENTS INC (US) 2008-02-13 EP disclosed
US-7077977-B2 Bulky borate activations EXXONMOBIL CHEMICAL PATENTS INC. (US) 2006-07-18 US disclosed
US-20040254065-A1 Bulky borate activations EXXONMOBIL CHEMICAL PATENTS INC. 2004-12-16 US disclosed
US-20040199021-A1 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS EXXONMOBIL CHEMICAL PATENTS INC. 2004-10-07 US disclosed
EP-1463738-A1 PARTIALLY FLUORINATED NAPHTHYL-BASED BORATES Exxonmobil Chemical Patents Inc. (US) 2004-10-06 EP disclosed
EP-1461152-A1 BULKY BORATE ACTIVATORS ExxonMobil Chemical Patents Inc. (US) 2004-09-29 EP disclosed
US-20040168627-A1 Atomic layer deposition of oxide film SHARP LABORATORIES OF AMERICA, INC. 2004-09-02 US disclosed
EP-1448568-A2 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS ExxonMobil Chemical Patents Inc. (US) 2004-08-25 EP disclosed
US-20040152591-A1 Polymerized metallocene catalyst composition EXXONMOBIL CHEMICAL PATENTS, INC. 2004-08-05 US disclosed
WO-2003051892-A1 PARTIALLY FLUORINATED NAPHTHYL-BASED BORATES EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-06-26 WO disclosed
WO-2003049856-A1 BULKY BORATE ACTIVATORS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-06-19 WO disclosed
WO-2003040070-A2 DICOPS CONTAINING ACETYLENIC SUBSTITUENTS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-05-15 WO disclosed