⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23894545 | 0.88 | — | — | |
| SCHEMBL20019625 | 0.78 | SOS1 (0.33) | — | |
| SCHEMBL10186809 | 0.76 | BRD4 (0.40) | — | |
| SCHEMBL10186829 | 0.76 | DRD4 (0.32) | — | |
| SCHEMBL10186826 | 0.76 | DRD4 (0.32) | — | |
| SCHEMBL20019631 | 0.72 | SOS1 (0.43) | — | |
| SCHEMBL22172294 | 0.69 | CYP2D6 (0.31) | — | |
| SCHEMBL22036847 | 0.67 | CHRM2 (0.38) | — | |
| SCHEMBL29348265 | 0.67 | — | — | |
| SCHEMBL29349106 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120165331-A1 | Di/tri-aza-spiro-C9-C11alkanes | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2012-06-28 | — | — | US | disclosed |