SCHEMBL3227870

SCHEMBL3227870

FC(F)(F)c1cc2c(C3OCCCO3)ccc(I)n2n1

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
SCHEMBL13425140 0.95 PDE4B (0.30)
SCHEMBL3207737 0.81 PDE4B (0.30)
SCHEMBL3219579 0.81 PDE4B (0.43)
SCHEMBL3203895 0.77 PDE4B (0.40)
SCHEMBL13425143 0.76 PDE4B (0.45)
SCHEMBL13425142 0.76 PDE4B (0.31)
SCHEMBL13425144 0.72 PDE4B (0.41)
SCHEMBL2960278 0.67 PDE4B (0.42)
SCHEMBL13240787 0.67 PDE4B (0.45)
SCHEMBL2960870 0.67 PDE4B (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056791-A1 Pyrazolopyridine carboxamide derivative and phosphodiesterase (pde) inhibitor containing the same KYORIN PHARMACEUTICAL CO., LTD. (JP) 2010-03-04 US disclosed
US-20090318385-A1 Pyrazolopyride derivative and phosphodiesterase ( pde) inhibitors containing the same as active ingredient KYORIN PHARMACEUTICAL CO., LTD. (JP) 2009-12-24 US disclosed
EP-2060572-A1 PYRAZOLOPYRIDINE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR CONTAINING THE SAME AS ACTIVE INGREDIENT Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-20 EP disclosed
EP-2058310-A1 PYRAZOLOPYRIDINE CARBOXAMIDE DERIVATIVE AND PHOSPHODIESTERASE (PDE) INHIBITOR COMPRISING THE DERIVATIVE Kyorin Pharmaceutical Co., Ltd. (JP) 2009-05-13 EP disclosed