⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28378309 | 0.89 | — | — | |
| SCHEMBL5273467 | 0.80 | ADRB1 (0.30) | — | |
| SCHEMBL10095034 | 0.75 | P2RX7 (0.38) | — | |
| SCHEMBL5935834 | 0.72 | — | — | |
| SCHEMBL28887469 | 0.70 | ALDH1A1 (0.45) | — | |
| SCHEMBL10095064 | 0.69 | P2RX7 (0.45) | — | |
| SCHEMBL109562 | 0.68 | P2RX7 (0.47) | — | |
| SCHEMBL28379888 | 0.67 | NR1H2 (0.41) | — | |
| SCHEMBL19005247 | 0.67 | MGLL (0.34) | — | |
| SCHEMBL23264169 | 0.67 | USP1 (0.33) | — |
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-2017101796-A1 | PHTHALAZINONE DERIVATIVE, AND PREPARATION METHOD AND USE THEREOF | 四川科伦博泰生物医药股份有限公司 | 2017-06-22 | — | — | WO | disclosed |