⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15415621 | 0.93 | — | — | |
| SCHEMBL16756318 | 0.75 | — | — | |
| SCHEMBL15414793 | 0.73 | HTR1A (0.31) | — | |
| SCHEMBL15415294 | 0.72 | ESR2 (0.44) | — | |
| SCHEMBL16792296 | 0.70 | — | — | |
| SCHEMBL19410890 | 0.69 | — | — | |
| SCHEMBL15415255 | 0.69 | SLC6A2 (0.33) | — | |
| SCHEMBL16794731 | 0.69 | — | — | |
| SCHEMBL15415624 | 0.67 | — | — | |
| SCHEMBL3650463 | 0.64 | KDM4E (0.31) | — |
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-2010084121-A1 | NOVEL DIAZA-BICYCLONONYL-PYRIMIDINYL DERIVATIVES AND THEIR MEDICAL USE | NEUROSEARCH A/S (DK) | 2010-07-29 | — | — | WO | disclosed |