SCHEMBL428029

SCHEMBL428029

[C]1=C(C2C#CCCCCC2)C=CCC1

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
SCHEMBL2323262 0.74
SCHEMBL8359813 0.68 SLC18A3 (0.37)
SCHEMBL8360449 0.68 SLC18A3 (0.37)
SCHEMBL8356125 0.68 SLC18A3 (0.37)
SCHEMBL8360446 0.68 SLC18A3 (0.37)
SCHEMBL8358194 0.68 SLC18A3 (0.37)
SCHEMBL8362511 0.66 MEN1 (0.38)
SCHEMBL481596 0.66
SCHEMBL8122799 0.60
SCHEMBL1533239 0.60 ALDH1A1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987251-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-03-24 US disclosed
US-8969383-B2 Picolinamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-03-03 US disclosed
US-20140296237-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2014-10-02 US disclosed
US-8835461-B2 Substituted 3-hydroxy-4-pyridone derivative SHIONOGI & CO., LTD. (JP) 2014-09-16 US disclosed
US-20140045817-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2014-02-13 US disclosed
US-8575145-B2 Triazolopyridine compounds as PIM kinase inhibitors ARRAY BIOPHARMA INC. (US) 2013-11-05 US disclosed
EP-2334677-B1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2013-10-09 EP disclosed
EP-2412708-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE Shionogi&Co., Ltd. (JP) 2012-02-01 EP disclosed
US-20120022255-A1 SUBSTITUTED 3-HYDROXY-4-PYRIDONE DERIVATIVE SHIONOGI & CO., LTD. (JP) 2012-01-26 US disclosed
US-20110144085-A1 TRIAZOLOPYRIDINE COMPOUNDS AS PIM KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 US disclosed
WO-2011016234-A1 PICOLINAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-02-10 WO disclosed