SCHEMBL7629673

SCHEMBL7629673

CC1=CC=C(C(=O)O)C(C)C1(O)C(=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
SCHEMBL28139097 0.78
SCHEMBL28096556 0.74
SCHEMBL27625851 0.66
SCHEMBL1006127 0.66
SCHEMBL28046518 0.66
SCHEMBL27867905 0.64
SCHEMBL27282070 0.63
SCHEMBL27851165 0.63
SCHEMBL27573487 0.63
SCHEMBL27536126 0.63

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
EP-0934370-B1 ORGANIC SOLVENT BASED INK FOR INVISIBLE MARKING/IDENTIFICATION ISOTAG TECHNOLOGY INC (US) 2002-09-11 EP disclosed
EP-0934370-A4 ORGANIC SOLVENT BASED INK FOR INVISIBLE MARKING/IDENTIFICATION EASTMAN CHEM CO (US) 2001-08-16 EP disclosed
US-5990197-A COMPRISING A NONSULFO-CONTAINING, SOLVENT-SOLUBLE POLYESTER BEING 1-10% BY WEIGHT OF A THERMALLY-STABLE, NEAR-INFRARED FLUOROPHORE, BINDER, CORROSION INHIBITOR, ELECTROLYTE AND AN ALIPHATIC KETONE OR ESTER; INK JET PRINTING; WEAR RESISTANCE EASTMAN CHEMICAL COMPANY (US) 1999-11-23 US disclosed
EP-0934370-A1 ORGANIC SOLVENT BASED INK FOR INVISIBLE MARKING/IDENTIFICATION EASTMAN CHEMICAL COMPANY (US) 1999-08-11 EP disclosed
EP-0700961-B1 Thermoplastic polymer composition having admixed therein one or more monomeric near-infrared fluorescing compounds EASTMAN CHEM CO (US) 1998-12-23 EP disclosed
EP-0875505-A2 Near-infrared fluorescing compounds EASTMAN CHEMICAL COMPANY (US) 1998-11-04 EP disclosed
WO-1998018871-A1 ORGANIC SOLVENT BASED INK FOR INVISIBLE MARKING/IDENTIFICATION EASTMAN CHEMICAL COMPANY (US) 1998-05-07 WO disclosed
US-5703229-A ALUMINUM PHTHALOCYANINE SUBSTITUTED WITH POLYESTER REACTIVE GROUPS; TAGGING THERMOPLASTIC WASTES FOR RECYCLING EASTMAN CHEMICAL COMPANY (US) 1997-12-30 US disclosed
EP-0616621-B1 METHOD FOR TAGGING THERMOPLASTIC MATERIALS WITH NEAR INFRARED FLUOROPHORES EASTMAN CHEM CO (US) 1996-12-18 EP disclosed
US-5553714-A FLUORESCENT SQUARAINES, PHTHALOCYANINES AND NAPHTHALOCYANINES EASTMAN CHEMICAL COMPANY (US) 1996-09-10 US disclosed
EP-0700961-A2 Thermoplastic polymer composition having admixed therein one or more monomeric near-infrared fluorescing compounds EASTMAN CHEMICAL COMPANY (US) 1996-03-13 EP disclosed
EP-0684963-A1 WATER-DISSIPATABLE POLYESTERS AND AMIDES CONTAINING NEAR INFRARED FLUORESCENT COMPOUNDS COPOLYMERIZED THEREIN EASTMAN CHEMICAL COMPANY (US) 1995-12-06 EP disclosed
US-5461136-A Thermoplastic condensation polymer having copolymerized therein one or more near infrared fluorescing compounds EASTMAN CHEMICAL COMPANY (US) 1995-10-24 US disclosed
US-5423432-A Marking articles for identification by applying aqueous dispersion of polyester containing near infrared fluorophore EASTMAN CHEMICAL COMPANY (US) 1995-06-13 US disclosed
US-5397819-A Phthalocyanines, naphthalocyanines, sqarines; detectable when exposed to specified wavelength limits of electromagnetic radiation; recycling of wastes EASTMAN CHEMICAL COMPANY (US) 1995-03-14 US disclosed
EP-0616621-A1 METHOD FOR TAGGING THERMOPLASTIC MATERIALS WITH NEAR INFRARED FLUOROPHORES. EASTMAN CHEM CO (US) 1994-09-28 EP disclosed
WO-1994019387-A1 WATER-DISSIPATABLE POLYESTERS AND AMIDES CONTAINING NEAR INFRARED FLUORESCENT COMPOUNDS COPOLYMERIZED THEREIN EASTMAN CHEMICAL COMPANY (US) 1994-09-01 WO disclosed
US-5336714-A Coatings, inks, markings for detection or identification EASTMAN CHEMICAL COMPANY (US) 1994-08-09 US disclosed
US-5292855-A Water-dissipatable polyesters and amides containing near infrared fluorescent compounds copolymerized therein EASTMAN KODAK COMPANY (US) 1994-03-08 US disclosed
WO-1993009172-A1 METHOD FOR TAGGING THERMOPLASTIC MATERIALS WITH NEAR INFRARED FLUOROPHORES EASTMAN CHEMICAL COMPANY (US) 1993-05-13 WO disclosed