SCHEMBL5282680

SCHEMBL5282680

CC(C)(C)c1nn[nH]c1F

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
SCHEMBL5279864 0.77
SCHEMBL5277864 0.73
SCHEMBL5284507 0.72
SCHEMBL16682772 0.72
SCHEMBL5278744 0.71
SCHEMBL5276933 0.70
SCHEMBL21719700 0.70
SCHEMBL5282854 0.67
SCHEMBL5279708 0.67
SCHEMBL5280293 0.65

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
US-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-01-26 US disclosed
US-11178870-B2 Pyridone compounds and agricultural and horticultural fungicides containing the same as active ingredients MITSUI CHEMICALS AGRO, INC. (JP) 2021-11-23 US disclosed
US-10626129-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2020-04-21 US disclosed
US-20200045968-A1 PYRIDONE COMPOUNDS AND AGRICULTURAL AND HORTICULTURAL FUNGICIDES CONTAINING THE SAME AS ACTIVE INGREDIENTS MITSUI CHEMICALS AGRO, INC. (JP) 2020-02-13 US disclosed
US-20190270759-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2019-09-05 US disclosed
US-20170342094-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2017-11-30 US disclosed
US-9771339-B2 Cystathionine-γ-lyase (CSE) inhibitors SOVA PHARMACEUTICALS, INC. (US) 2017-09-26 US disclosed
US-9771339-B2 Cystathionine-γ-lyase (CSE) inhibitors SOVA PHARMACEUTICALS, INC. (US) 2017-09-26 US disclosed
US-9221843-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2015-12-29 US disclosed
US-20150175561-A1 CYSTATHIONINE-GAMMA-LYASE (CSE) INHIBITORS SOVA PHARMACEUTICALS, INC. (US) 2015-06-25 US disclosed
US-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2015-04-30 US disclosed
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed