SCHEMBL797774

SCHEMBL797774

CCc1c[c]nc(C(C)C)n1

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
SCHEMBL7955998 0.82 — —
SCHEMBL796937 0.82 NOS3 (0.34) —
SCHEMBL797033 0.79 MEN1 (0.31) —
SCHEMBL797006 0.78 MEN1 (0.31) —
SCHEMBL796981 0.77 — —
SCHEMBL796812 0.75 — —
SCHEMBL797539 0.74 — —
SCHEMBL796266 0.73 ESR1 (0.30) —
SCHEMBL797737 0.72 — —
SCHEMBL797162 0.72 ALDH1A1 (0.33) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2550264-B1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2016-06-08 — — EP disclosed
US-9040537-B2 Pyridazine compounds for controlling invertebrate pests BASF SE (DE) 2015-05-26 — — US disclosed
EP-2615917-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2013-07-24 — — EP disclosed
US-20130180014-A1 Pyridine Compounds for Controlling Invertebrate Pests III BASF SE (DE) 2013-07-11 — — US disclosed
EP-2550264-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2013-01-30 — — EP disclosed
US-20130012380-A1 Pyridazine Compounds For Controlling Invertebrate Pests BASF SE (DE) 2013-01-10 — — US disclosed
WO-2012034959-A2 PYRIDINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS III BASF SE (DE) 2012-03-22 — — WO disclosed
WO-2011117286-A1 PYRIDAZINE COMPOUNDS FOR CONTROLLING INVERTEBRATE PESTS BASF SE (DE) 2011-09-29 — — WO disclosed
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