SCHEMBL5144249

SCHEMBL5144249

C=CC(=O)OC(CC)CC1(C(=O)O)C=CC=CC1C(=O)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
SCHEMBL1355698 0.73
SCHEMBL3022477 0.71
SCHEMBL1249883 0.69
SCHEMBL28863508 0.68
SCHEMBL561301 0.67 TSHR (0.45)
SCHEMBL1356375 0.67
SCHEMBL5185985 0.67
SCHEMBL1247156 0.66
SCHEMBL3039803 0.66 POLA1 (0.34)
SCHEMBL29195534 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349779-B2 Polymers with h-bridge forming functionalities EVONIK ROHMAX ADDITIVES GMBH (DE) 2013-01-08 US claimed
US-8933169-B2 Low water-absorption plastisol polymers Kaneka Belguim N.V. (BE) 2015-01-13 US disclosed
US-8722600-B2 Polymers with H-bridge forming functionalities for improving anti-wear protection EVONIK ROHMAX ADDITIVES GMBH (DE) 2014-05-13 US disclosed
US-8349779-B2 Polymers with h-bridge forming functionalities EVONIK ROHMAX ADDITIVES GMBH (DE) 2013-01-08 US disclosed
US-20070259987-A1 Low Water-Absorption Plastisol Polymers ROEHM GMBH (DE) 2007-11-08 US disclosed
US-20070197409-A1 Polymers with h-bridge forming functionalities for improving anti-wear protection EVONIK DEGUSSA GMBH (DE) 2007-08-23 US disclosed
US-20070184993-A1 Polymers with h-bridge forming functionalities ROHMAX ADDITIVES GMBH (DE) 2007-08-09 US disclosed