SCHEMBL6324027

SCHEMBL6324027

CC(C[C]=O)C(N)=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
SCHEMBL17352411 0.77
SCHEMBL14795097 0.77
SCHEMBL7143796 0.76
SCHEMBL8184754 0.76
SCHEMBL8048058 0.75
SCHEMBL308592 0.75
SCHEMBL16123655 0.75
SCHEMBL7748994 0.75
SCHEMBL11502962 0.74
SCHEMBL1828350 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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894067-B2 5-heteroatom-substituted pyrazoles PFIZER, INC. (US) 2005-05-17 US claimed
EP-1308445-B1 5-heteroatom-substituted pyrazoles PFIZER PROD INC (US) 2004-12-22 EP claimed
US-20030134858-A1 5-Heteroatom-substituted pyrazoles MINICH MARTHA L (US) 2003-07-17 US claimed
WO-2003037335-A1 5-HETEROATOM-SUBSTITUTED PYRAZOLES PFIZER PRODUCTS INC. (US) 2003-05-08 WO claimed
EP-1308445-A1 5-heteroatom-substituted pyrazoles Pfizer Products Inc. (US) 2003-05-07 EP claimed
US-6894067-B2 5-heteroatom-substituted pyrazoles PFIZER, INC. (US) 2005-05-17 US disclosed
EP-1308445-B1 5-heteroatom-substituted pyrazoles PFIZER PROD INC (US) 2004-12-22 EP disclosed
US-20040210052-A1 Efficient synthesis of 5-heteroatom-containing-pyrazoles SHAVNYA ANDREI (US) 2004-10-21 US disclosed
US-6794512-B2 ANTIINFLAMMATORY AGENTS; CYCLOOXYGENASE INHBITORS; ANTICANCER AGENTS; AUTOIMMUNE DISEASE PFIZER, INC. 2004-09-21 US disclosed
EP-1440062-A1 AN EFFICIENT SYNTHESIS OF 5-HETEROATOM-CONTAINING-PYRAZOLES Pfizer Products Inc. (US) 2004-07-28 EP disclosed
US-20030139407-A1 Efficient synthesis of 5-heteroatom-containing -pyrazoles SHAVNYA ANDREI (US) 2003-07-24 US disclosed
US-20030134858-A1 5-Heteroatom-substituted pyrazoles MINICH MARTHA L (US) 2003-07-17 US disclosed
EP-1308445-A1 5-heteroatom-substituted pyrazoles Pfizer Products Inc. (US) 2003-05-07 EP disclosed
US-6117822-A AS HERBICIDES AND PLANT DESICCANTS AND/OR DEFOLIANTS BASF AKTIENGESELLSCHAFT (DE) 2000-09-12 US disclosed
EP-0788479-B1 SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT BASF AG (DE) 2000-04-19 EP disclosed
EP-0939078-A2 Substituted phthalimido-cinnamic acid derivatives with herbicidal activity BASF AKTIENGESELLSCHAFT (DE) 1999-09-01 EP disclosed
US-5807807-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-09-15 US disclosed
US-5707937-A AGRICULTURAL HERBICIDES, DESICCANTS, DEFOLIANTS, HARVESTING AIDS BASF AKTIENGESELLSCHAFT (DE) 1998-01-13 US disclosed
EP-0788479-A1 SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1997-08-13 EP disclosed
WO-1996014298-A1 SUBSTITUTED PHTHALIMIDO-CINNAMIC ACID DERIVATIVES WITH HERBICIDAL EFFECT BASF AKTIENGESELLSCHAFT (DE) 1996-05-17 WO disclosed