⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28644022 | 0.70 | — | — | |
| SCHEMBL6075100 | 0.69 | ACHE (0.33) | — | |
| SCHEMBL27324523 | 0.66 | IMPDH2 (0.33) | — | |
| SCHEMBL16071624 | 0.66 | ACHE (0.32) | — | |
| SCHEMBL6189654 | 0.66 | — | — | |
| SCHEMBL7995134 | 0.66 | ACHE (0.32) | — | |
| SCHEMBL19266217 | 0.66 | IMPDH2 (0.33) | — | |
| SCHEMBL11368303 | 0.66 | — | — | |
| SCHEMBL19266214 | 0.64 | IMPDH2 (0.35) | — | |
| SCHEMBL19266192 | 0.64 | IMPDH2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2797932-A1 | METHODS OF ISOLATING (4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYL) BORONATES AND METHODS OF USING THE SAME | Dow AgroSciences LLC (US) | 2014-11-05 | — | — | EP | claimed |
| WO-2013101987-A1 | METHODS OF ISOLATING (4-CHLORO-2-FLUORO-3-SUBSTITUTED-PHENYL) BORONATES AND METHODS OF USING THE SAME | DOW AGROSCIENCES LLC (US) | 2013-07-04 | — | — | WO | claimed |