⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL118435 | 0.69 | — | — | |
| SCHEMBL2360766 | 0.64 | — | — | |
| SCHEMBL3260081 | 0.64 | — | — | |
| SCHEMBL16523968 | 0.63 | — | — | |
| SCHEMBL367010 | 0.61 | — | — | |
| SCHEMBL27940375 | 0.61 | — | — | |
| SCHEMBL28074760 | 0.61 | — | — | |
| SCHEMBL27819783 | 0.61 | — | — | |
| SCHEMBL670662 | 0.61 | — | — | |
| SCHEMBL27040245 | 0.59 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2012075316-A2 | CYCLOPROPYL MIDA BORONATE | RIGEL PHARMACEUTICALS, INC. (US) | 2012-06-07 | — | — | WO | disclosed |