⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1493034 | 0.82 | CA1 (0.36) | — | |
| SCHEMBL530766 | 0.82 | CA1 (0.35) | — | |
| SCHEMBL5197763 | 0.77 | CA1 (0.38) | — | |
| SCHEMBL4894720 | 0.77 | CA1 (0.38) | — | |
| Methane SCHEMBL27550096 | 0.77 | CA1 (0.33) | — | |
| SCHEMBL28897585 | 0.77 | CA1 (0.33) | — | |
| SCHEMBL1493009 | 0.75 | CES2 (0.46) | — | |
| SCHEMBL14118262 | 0.74 | CA1 (0.36) | — | |
| Bromomethane SCHEMBL27844435 | 0.70 | DPP4 (0.35) | — | |
| Methylamine SCHEMBL27764943 | 0.70 | DPP4 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011031401-A2 | LITHIUM NON-FLUORINATED AND FLUORINATED PHENYL TRIFLUORO BORATE SALTS FOR NON-AQUEOUS BATTERY ELECTROLYTES | BROOKHAVEN SCIENCE ASSOCIATES LLC (US) | 2011-03-17 | — | — | WO | claimed |
| WO-2011031401-A2 | LITHIUM NON-FLUORINATED AND FLUORINATED PHENYL TRIFLUORO BORATE SALTS FOR NON-AQUEOUS BATTERY ELECTROLYTES | BROOKHAVEN SCIENCE ASSOCIATES LLC (US) | 2011-03-17 | — | — | WO | disclosed |