SCHEMBL620951

SCHEMBL620951

CCC(CC)(C(=O)[O-])C(=O)C(C(C)C)C(C)C.CCC(CC)(C(=O)[O-])C(=O)C(C(C)C)C(C)C.CCC(CC)(C(=O)[O-])C(=O)C(C(C)C)C(C)C.CCC(CC)(C(=O)[O-])C(=O)C(C(C)C)C(C)C.[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
SCHEMBL4443435 0.78
SCHEMBL3241100 0.77 CA2 (0.36)
SCHEMBL28048919 0.77 FFAR3 (0.36)
SCHEMBL17433623 0.77 FFAR3 (0.36)
SCHEMBL2454763 0.75
SCHEMBL159864 0.72 CA2 (0.36)
SCHEMBL15333904 0.72
SCHEMBL17433672 0.71 FFAR3 (0.36)
SCHEMBL21269349 0.71 FFAR3 (0.36)
SCHEMBL17818654 0.71 FFAR3 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8753408-B2 Reductive decoloration of keratin-containing fibers HENKEL AG & CO. KGAA (DE) 2014-06-17 US disclosed
US-20120039837-A1 Hair-Treatment Compositions with Corneocyte Proteins or Polypeptides and Silicone(s) SOMFLETH PETRA (DE) 2012-02-16 US disclosed
US-20100146710-A1 Reductive Decoloration of Keratin-Containing Fibers HENKEL AG & CO. KGAA (DE) 2010-06-17 US disclosed
US-20080152604-A1 SKIN-LIGHTENING COMPOSITIONS WITH AN IMPROVED ACTION HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-06-26 US disclosed
US-20070292378-A1 Hair-treatment compositions with corneocyte proteins or polypeptides and silicone(s) HENKEL AG & CO. KGAA (DE) 2007-12-20 US disclosed
US-20070292379-A1 HAIR TREATING AGENT COMPRISING CORNEOCYTE PROTEINS OR CORNEOCYTE POLYPEPTIDES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-12-20 US disclosed
US-20070060489-A1 Cationic surfactant shampoo composition HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (HENKEL KGAA) (DE) 2007-03-15 US disclosed
EP-1536762-B1 COMPOSITIONS COMPRISING SILICONE-IN-WATER EMULSIONS AND FRAGRANCES AND HAIR CARE PREPARATIONS COMPRISING SUCH COMPOSITIONS TAKASAGO PERFUMERY CO LTD (JP) 2007-01-17 EP disclosed
US-20060154848-A1 Compositions comprising silicone-in-water emulsions and fragrances and hair care preparations comprising such compositions TAKASAGO INTERNATIONAL CORP. (JP) 2006-07-13 US disclosed
EP-1536762-A2 COMPOSITIONS COMPRISING SILICONE-IN-WATER EMULSIONS AND FRAGRANCES AND HAIR CARE PREPARATIONS COMPRISING SUCH COMPOSITIONS Takasago International Corporation (JP) 2005-06-08 EP disclosed
EP-0718340-A2 Silyl group-containing organic polymers DOW CORNING S.A. (BE) 1996-06-26 EP disclosed
EP-0314314-B1 Filled compositions DOW CORNING SA (BE) 1994-08-24 EP disclosed
EP-0314315-B1 Preparation of hydroxy terminated polysiloxanes DOW CORNING SA (BE) 1994-01-26 EP disclosed
EP-0236043-B1 IMPROVED ROOM-TEMPERATURE CURING SILICONE SEALANTS DOW CORNING CORPORATION (US) 1992-06-03 EP disclosed
US-5073586-A Polysiloxane, carbonate, alkylsulfonate, low modulus DOW CORNING S.A. (BE) 1991-12-17 US disclosed
US-4990555-A Preparation of hydroxy terminated polysiloxanes DOW CORNING S.A. (BE) 1991-02-05 US disclosed
EP-0314315-A2 Preparation of hydroxy terminated polysiloxanes DOW CORNING S.A. (BE) 1989-05-03 EP disclosed
EP-0314314-A2 Filled compositions DOW CORNING S.A. (BE) 1989-05-03 EP disclosed
EP-0236043-A2 Improved room-temperature curing silicone sealants DOW CORNING CORPORATION (US) 1987-09-09 EP disclosed
US-4652624-A IMPROVING OIL SWELL RESISTANCE AND SHELF LIFE DOW CORNING CORPORATION (US) 1987-03-24 US disclosed