SCHEMBL8314531

SCHEMBL8314531

CCC(CC)(CO)CCS(=O)(=O)/N=C/N(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
SCHEMBL8314533 1.00
SCHEMBL8314794 0.91
SCHEMBL8314789 0.91
SCHEMBL8314211 0.83 LMNA (0.31)
SCHEMBL8314213 0.83 LMNA (0.31)
SCHEMBL8311675 0.80 LMNA (0.31)
SCHEMBL8311673 0.80 LMNA (0.31)
SCHEMBL8316411 0.75 LMNA (0.30)
SCHEMBL8316406 0.75 LMNA (0.30)
SCHEMBL8314611 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562439-B1 Triazolopyridazines as antioasthmatics TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-06-09 EP disclosed
EP-0562440-B1 Imidazopyridazines as antiasthmatics TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-12-23 EP disclosed
US-5491145-A ANTIASTHMA, ANTI-PLATELET ACTIVATING FACTOR BRONCHOCONSTRICTION-INHIBITING AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-02-13 US disclosed
US-5482939-A ANTI-PLATELET ACTIVATING FACTOR ACTIVITIES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-09 US disclosed
US-5389633-A ANTIASTHMATIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0562439-A1 Triazolopyridazines as antioasthmatics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-29 EP disclosed
EP-0562440-A1 Imidazopyridazines as antiasthmatics TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-29 EP disclosed