SCHEMBL916578

SCHEMBL916578

CCCOC(CC)C(=O)C(OCCC)(OCCC)C(=O)[O-].CCCOC(CC)C(=O)C(OCCC)(OCCC)C(=O)[O-].CCCOC(CC)C(=O)C(OCCC)(OCCC)C(=O)[O-].CCCOC(CC)C(=O)C(OCCC)(OCCC)C(=O)[O-].[Ti+4]

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
SCHEMBL109540 0.88 CA2 (0.31)
SCHEMBL106374 0.84 CA2 (0.31)
SCHEMBL2479261 0.83 HDAC2 (0.32)
SCHEMBL107363 0.81 CA2 (0.35)
SCHEMBL105557 0.78 CA2 (0.35)
SCHEMBL106786 0.72 CA2 (0.41)
SCHEMBL992974 0.71 ALDH1A1 (0.32)
SCHEMBL2384263 0.70 FFAR3 (0.38)
SCHEMBL3290559 0.70 ALDH1A1 (0.32)
SCHEMBL1942207 0.69 CA2 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3733756-B1 TREAD RUBBER COMPOSITION FOR STUDLESS WINTER TIRES SUMITOMO RUBBER IND (JP) 2026-01-28 EP disclosed
EP-3725839-B1 RUBBER COMPOSITION AND TIRE USING SAME BRIDGESTONE CORP (JP) 2024-10-30 EP disclosed
US-12018152-B2 Polybutadiene composition and method for producing same ENEOS MATERIALS CORPORATION (JP) 2024-06-25 US disclosed
EP-3677438-B1 PNEUMATIC TIRE BRIDGESTONE CORP (JP) 2023-11-15 EP disclosed
EP-3896100-B1 POLYBUTADIENE COMPOSITION AND METHOD FOR PRODUCING SAME ENEOS MAT CORPORATION (JP) 2023-06-21 EP disclosed
US-11613144-B2 Pneumatic tire BRIDGESTONE CORPORATION (JP) 2023-03-28 US disclosed
US-11433705-B2 Studless tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2022-09-06 US disclosed
US-11267285-B2 Rubber composition for tires and pneumatic tire SUMITOMO RUBBER INDUSTRIES, LTD. (JP) 2022-03-08 US disclosed
US-20220002524-A1 POLYBUTADIENE COMPOSITION AND METHOD FOR PRODUCING SAME JSR CORPORATION (JP) 2022-01-06 US disclosed
EP-3896100-A1 POLYBUTADIENE COMPOSITION AND METHOD FOR PRODUCING SAME JSR Corporation (JP) 2021-10-20 EP disclosed
US-8258241-B2 Method for producing modified conjugated diene polymer, modified conjugated diene polymer, and rubber composition JSR CORPORATION (JP) 2012-09-04 US disclosed
US-20110290396-A1 PNEUMATIC TIRE BRIDGESTONE CORPORATION (JP) 2011-12-01 US disclosed
US-20110077343-A1 RUBBER COMPOSITION FOR TIRE BASE RUBBER COMPOSITION, AND PNEUMATIC TIRE MADE USING SAID RUBBER COMPOSITION BRIDGESTONE CORPORATION (JP) 2011-03-31 US disclosed
US-7893153-B2 Process for producing modified conjugated diene polymer, modified conjugated diene polymer obtained by the process, and rubber composition containing the same JSR CORPORATION (JP) 2011-02-22 US disclosed
US-20110015302-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR CORPORATION (JP) 2011-01-20 US disclosed
EP-2258765-A1 RUBBER COMPOSITION FOR TIRE BASE RUBBER COMPOSITION, AND PNEUMATIC TIRE MADE USING SAID RUBBER COMPOSITION Bridgestone Corporation (JP) 2010-12-08 EP disclosed
US-20100222502-A1 PROCESS FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER OBTAINED BY THE PROCESS, AND RUBBER COMPOSITION CONTAINING THE SAME JSR CORPORATION (JP) 2010-09-02 US disclosed
US-20100105827-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR CORPORATION (JP) 2010-04-29 US disclosed
EP-2098540-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR Corporation (JP) 2009-09-09 EP disclosed
EP-2098554-A1 METHOD FOR PRODUCING MODIFIED CONJUGATED DIENE POLYMER, MODIFIED CONJUGATED DIENE POLYMER, AND RUBBER COMPOSITION JSR Corporation (JP) 2009-09-09 EP disclosed