⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10820387 | 0.73 | — | — | |
| SCHEMBL20018072 | 0.69 | — | — | |
| SCHEMBL5760574 | 0.68 | — | — | |
| SCHEMBL135915 | 0.68 | — | — | |
| SCHEMBL22703052 | 0.67 | — | — | |
| SCHEMBL7081397 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL8107688 | 0.65 | — | — | |
| SCHEMBL1615360 | 0.64 | — | — | |
| SCHEMBL766750 | 0.62 | — | — | |
| SCHEMBL13009496 | 0.62 | — | — |
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-2017134555-A1 | DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER | EMCURE PHARMACEUTICALS LIMITED (IN) | 2017-08-10 | — | — | WO | disclosed |
| US-9590269-B2 | Polyelectrolyte and energy storage device | INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) | 2017-03-07 | — | — | US | disclosed |