SCHEMBL14704268

SCHEMBL14704268

C[C@H](CN=[N+]=[N-])C(=O)O

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
SCHEMBL17193565 1.00 — —
SCHEMBL15317631 1.00 — —
SCHEMBL17551030 0.82 — —
SCHEMBL27809324 0.80 GABRR1 (0.46) —
SCHEMBL17973546 0.79 MME (0.41) —
SCHEMBL15117421 0.78 SLC1A3 (0.41) —
SCHEMBL14123552 0.77 SMN1; SMN2 (0.34) —
SCHEMBL19444253 0.77 — —
SCHEMBL16574791 0.77 BLM (0.47) —
SCHEMBL15398290 0.76 CHRM1 (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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9445596-B2 Small molecule compounds for the control of nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-09-20 — — US disclosed
US-9445596-B2 Small molecule compounds for the control of nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-09-20 — — US disclosed
US-9445596-B2 Small molecule compounds for the control of nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2016-09-20 — — US disclosed
US-20140303360-A1 Small Molecule Compounds for the Control of Nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-09 — — US disclosed
US-20140303360-A1 Small Molecule Compounds for the Control of Nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-09 — — US disclosed
US-20140303360-A1 Small Molecule Compounds for the Control of Nematodes CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2014-10-09 — — US disclosed
WO-2013022985-A2 SMALL MOLECULE COMPOUNDS FOR THE CONTROL OF NEMATODES BOYCE THOMPSON INSTITUTE FOR PLANT RESEARCH (US) 2013-02-14 — — WO disclosed
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