SCHEMBL6689112

SCHEMBL6689112

N=C=O.O=C1CCC(=O)N1O

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
Carbimide SCHEMBL3149105 0.92 KDM4E (0.30)
Carbimide SCHEMBL5167749 0.89
SCHEMBL338264 0.85 KDM4E (0.34)
SCHEMBL1123 0.85
SCHEMBL785147 0.85
SCHEMBL23174460 0.82
SCHEMBL21409686 0.82
Phosphine SCHEMBL19611314 0.82
SCHEMBL21409683 0.82
SCHEMBL21409789 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040156859-A1 GP-41 peptides, BBB peptides, anticancer agents, antihistamines, bronchodilators, hypotensive agents, antiangina agents, opioids, analgesics, antidepressants, and hypothyroid agents reactive with amino, hydroxyl or thiol groups CONJUCHEM, INC. (CA) 2004-08-12 US disclosed
US-6706892-B1 ADMINSTERING MALEIMIDE DERIVATIVE TO COVALENTLY BOND PROTEIN; WOUND HEALING, ANTIBIOTIC, ANTIINFLAMMATORY, ANTICARCINOGENIC, HYPOTENSIVE, AND ANALGESIC AGENTS CONJUCHEM, INC. (CA) 2004-03-16 US disclosed
US-20030170250-A1 Local delivery of long lasting therapeutic agents EZRIN ALAN M (US) 2003-09-11 US disclosed
EP-1235618-A2 BIOCONJUGATION IN VIVO TO PULMONARY OR BLOOD COMPONENTS Conjuchem, Inc. (CA) 2002-09-04 EP disclosed
US-20020018751-A1 CELLULAR AND SERUM PROTEIN ANCHORS FOR DIAGNOSTIC IMAGING CONJUCHEM, INC. (CA) 2002-02-14 US disclosed
WO-2001017568-A2 BIOCONJUGATION IN VIVO TO PULMONARY OR BLOOD COMPONENTS CONJUCHEM, INC. (CA) 2001-03-15 WO disclosed
EP-1042003-A1 DELIVERY OF LONG LASTING THERAPEUTIC AGENTS BY FORMING COVALENT ATTACHMENTS IN VIVO Conjuchem, Inc. (CA) 2000-10-11 EP disclosed
US-6107489-A CHEMICALLY REACTIVE TRIPEPTIDE INTERMEDIATES WHICH CAN REACT WITH AVAILABLE REACTIVE FUNCTIONALITIES ON BLOOD COMPONENTS TO FORM COVALENT LINKAGES, THE RESULTING CONJUGATES HAVE RENIN INHIBITION ACTIVITY FOR EXTENDED PERIODS OF TIME CONJUCHEM, INC. (CA) 2000-08-22 US disclosed
WO-1999048536-A2 DELIVERY OF LONG LASTING THERAPEUTIC AGENTS BY FORMING COVALENT ATTACHMENTS IN VIVO CONJUCHEM, INC. (CA) 1999-09-30 WO disclosed