⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3577887 | 0.84 | — | — | |
| SCHEMBL881209 | 0.84 | ALDH1A1 (0.33) | — | |
| SCHEMBL10063831 | 0.84 | — | — | |
| SCHEMBL13911332 | 0.78 | — | — | |
| SCHEMBL10046586 | 0.73 | — | — | |
| SCHEMBL19101383 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL8260561 | 0.73 | — | — | |
| SCHEMBL9058195 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL13018008 | 0.71 | — | — | |
| SCHEMBL9344793 | 0.71 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210284805-A1 | DESIGN OF LIGAND ATTACHMENT CHEMISTRY FOR HIGH CONDUCTIVITY POLYMER ELECTROLYTES | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2021-09-16 | — | — | US | disclosed |
| WO-2010027779-A2 | PESTICIDAL COMPOSITIONS | DOW AGROSCIENCES LLC (US) | 2010-03-11 | — | — | WO | disclosed |
| WO-2008057129-A1 | MULTI-SUBSTITUTED PYRIDYL SULFOXIMINES AND THEIR USE AS INSECTICIDES | DOW AGROSCIENCES LLC (US) | 2008-05-15 | — | — | WO | disclosed |