⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19477287 | 0.73 | — | — | |
| SCHEMBL4550927 | 0.73 | — | — | |
| SCHEMBL18175697 | 0.71 | — | — | |
| SCHEMBL13823255 | 0.71 | — | — | |
| SCHEMBL20469162 | 0.71 | — | — | |
| SCHEMBL24832405 | 0.71 | — | — | |
| SCHEMBL19476944 | 0.71 | — | — | |
| SCHEMBL23205950 | 0.71 | — | — | |
| SCHEMBL23616357 | 0.70 | — | — | |
| SCHEMBL19499344 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023079294-A1 | PHTHALAZINE DERIVATIVES AS PYRUVATE KINASE MODULATORS | SITRYX THERAPEUTICS LIMITED (GB) | 2023-05-11 | — | — | WO | disclosed |
| EP-2751108-B1 | BICYCLIC HETEROCYCLE DERIVATIVES FOR THE TREATMENT OF PULMONARY ARTERIAL HYPERTENSION | NOVARTIS AG (CH) | 2016-04-27 | — | — | EP | disclosed |