SCHEMBL6403514

SCHEMBL6403514

[CH2]N(C(=O)OC(C)(C)C)C(N)=NC(=O)OC(C)(C)C

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
SCHEMBL12483135 0.81 HDAC1 (0.31)
SCHEMBL6813444 0.81 HDAC1 (0.31)
SCHEMBL3928699 0.80 HDAC1 (0.30)
SCHEMBL20916878 0.76 HDAC6 (0.38)
SCHEMBL991813 0.73 HDAC1 (0.36)
SCHEMBL15285910 0.73
SCHEMBL7856537 0.73 HDAC6 (0.33)
SCHEMBL25597697 0.73
SCHEMBL8169564 0.72 HDAC6 (0.31)
SCHEMBL8670355 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050032789-A1 Novel compounds useful in pain management ASTRAZENECA CANADA INC. 2005-02-10 US claimed
EP-1089965-B1 Urea derivatives for pain management ASTRAZENECA AB (SE) 2004-09-15 EP claimed
US-6387949-B1 ANALGESICS ASTRAZENECA CANADA INC. (CA) 2002-05-14 US claimed
EP-1089967-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT AstraZeneca AB (SE) 2001-04-11 EP claimed
EP-1089966-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT AstraZeneca AB (SE) 2001-04-11 EP claimed
EP-1089965-A1 NOVEL COMPOUNDS AstraZeneca AB (SE) 2001-04-11 EP claimed
EP-1087940-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT AstraZeneca AB (SE) 2001-04-04 EP claimed
WO-1999067204-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 1999-12-29 WO claimed
WO-1999067206-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT ASTRAZENECA AB (SE) 1999-12-29 WO claimed
WO-1999067203-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT ASTRAZENECA AB (SE) 1999-12-29 WO claimed
WO-1999067205-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT ASTRAZENECA AB (SE) 1999-12-29 WO claimed
US-20050032789-A1 Novel compounds useful in pain management ASTRAZENECA CANADA INC. 2005-02-10 US disclosed
EP-1089965-B1 Urea derivatives for pain management ASTRAZENECA AB (SE) 2004-09-15 EP disclosed
US-6777561-B1 MANAGEMENT OF PAIN; PHENYL-UREA COMPOUNDS ASTRAZENECA CANADA INC. (CA) 2004-08-17 US disclosed
US-6387949-B1 ANALGESICS ASTRAZENECA CANADA INC. (CA) 2002-05-14 US disclosed
EP-1087940-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT AstraZeneca AB (SE) 2001-04-04 EP disclosed
WO-1999067204-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 1999-12-29 WO disclosed
WO-1999067203-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT ASTRAZENECA AB (SE) 1999-12-29 WO disclosed
WO-1999067206-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT ASTRAZENECA AB (SE) 1999-12-29 WO disclosed
WO-1999067205-A1 NOVEL COMPOUNDS USEFUL IN PAIN MANAGEMENT ASTRAZENECA AB (SE) 1999-12-29 WO disclosed