⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12641989 | 0.72 | — | — | |
| SCHEMBL21191620 | 0.67 | — | — | |
| SCHEMBL28218983 | 0.65 | — | — | |
| SCHEMBL20536578 | 0.64 | PGK1 (0.45) | — | |
| SCHEMBL688972 | 0.61 | — | — | |
| SCHEMBL13752371 | 0.60 | — | — | |
| SCHEMBL1177955 | 0.60 | — | — | |
| SCHEMBL7811855 | 0.60 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL541847 | 0.56 | — | — | |
| SCHEMBL11409247 | 0.56 | — | — |
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-2023131349-A1 | NITRIC OXIDE DONOR TYPE TREPROSTINIL DERIVATIVE, AND PHARMACEUTICAL COMPOSITION THEREOF AND USE THEREOF | 广州楷石医药有限公司 | 2023-07-13 | — | — | WO | disclosed |