SCHEMBL3889852

SCHEMBL3889852

C=CCN(O)C(C)=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
SCHEMBL327516 0.78 ALDH1A1 (0.35)
SCHEMBL7044812 0.76 ALDH1A1 (0.41)
SCHEMBL173228 0.76 ALDH1A1 (0.52)
SCHEMBL11616346 0.76 ALDH1A1 (0.52)
SCHEMBL1897643 0.76
SCHEMBL11695456 0.75
SCHEMBL676588 0.74
SCHEMBL10715503 0.74 ALDH1A1 (0.39)
SCHEMBL207433 0.74
SCHEMBL170266 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1435962-A4 TREATMENT OF TYPE I DIABETES CELL PATHWAYS INC (US) 2009-04-15 EP disclosed
US-20060252762-A1 Methods for treatment of multiple sclerosis WHITEHEAD CLARK M 2006-11-09 US disclosed
US-20060100210-A1 Methods for treatment of scleroderma WHITEHEAD CLARK M 2006-05-11 US disclosed
US-6906064-B2 Method for treating a patient with neoplasia using Iressa OSI PHARMACEUTICALS, INC. 2005-06-14 US disclosed
EP-1435961-A4 TREATMENT FOR LUPUS ERYTHEMATOSUS CELL PATHWAYS INC (US) 2005-04-20 EP disclosed
EP-1435940-A4 TREATMENT OF SCLERODERMA CELL PATHWAYS INC (US) 2005-04-20 EP disclosed
EP-1435962-A2 TREATMENT OF TYPE I DIABETES Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
EP-1435782-A1 TREATMENT FOR CYSTIC FIBROSIS Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
EP-1435961-A2 TREATMENT FOR LUPUS ERYTHEMATOSUS Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
EP-1435940-A1 TREATMENT OF SCLERODERMA Cell Pathways, Inc. (US) 2004-07-14 EP disclosed
EP-1044187-A1 N-BENZYL-3-INDENYLACETAMIDES DERIVATIVES FOR TREATING NEOPLASIA OSI Pharmaceuticals, Inc. (US) 2000-10-18 EP disclosed
US-6066634-A PHOSPHODIESTERASE INHIBITOR CELL PATHWAYS, INC. (US) 2000-05-23 US disclosed
US-5948779-A APOPTOSIS; ANTICANCER AGENT CELL PATHWAYS, INC. (US) 1999-09-07 US disclosed
WO-1999031065-A1 N-BENZYL-3-INDENYLACETAMIDES DERIVATIVES FOR TREATING NEOPLASIA CELL PATHWAYS, INC. (US) 1999-06-24 WO disclosed
EP-0278674-B1 STERILIZATION OF COMPOSITIONS OF LIMITED STABILITY COOK IMAGING CORPORATION (US) 1992-08-12 EP disclosed
US-4863714-A CARBOXYLATE BUFFER, ACIDITY, HEAT TREATMENT COOK IMAGING CORPORATION (US) 1989-09-05 US disclosed
EP-0278674-A2 Sterilization of compositions of limited stability COOK IMAGING CORPORATION (US) 1988-08-17 EP disclosed
EP-0116254-B1 NEW PHENYLTHIONOPHOSPHONIC ACID ESTERS HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1986-10-15 EP disclosed
EP-0116254-A1 New phenylthionophosphonic acid esters HOKKO CHEMICAL INDUSTRY CO., LTD (JP) 1984-08-22 EP disclosed
US-4443439-A Pesticidal phenylthionophosphonic acid esters HOKKO CHEMICAL INDUSTRY CO., LTD. (JP) 1984-04-17 US disclosed