⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25629686 | 0.67 | PDCD1 (0.33) | — | |
| SCHEMBL19005542 | 0.67 | HTR2A (0.34) | — | |
| Hydrochloric Acid SCHEMBL1232988 | 0.66 | — | — | |
| SCHEMBL25717118 | 0.65 | HRH4 (0.33) | — | |
| SCHEMBL22414337 | 0.64 | TACR3 (0.45) | — | |
| SCHEMBL19005562 | 0.64 | HTR2A (0.31) | — | |
| SCHEMBL22167703 | 0.64 | TLR9 (0.31) | — | |
| SCHEMBL929279 | 0.61 | POLB (0.47) | — | |
| SCHEMBL19005555 | 0.61 | HTR2A (0.32) | — | |
| SCHEMBL19005528 | 0.61 | HTR2A (0.32) | — |
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 |