⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27735319 | 0.77 | DNM1 (0.36) | — | |
| SCHEMBL10799178 | 0.77 | DNM1 (0.36) | — | |
| SCHEMBL9328357 | 0.71 | EPHX1 (0.36) | — | |
| SCHEMBL15243863 | 0.71 | — | — | |
| SCHEMBL817593 | 0.69 | DNM1 (0.47) | — | |
| SCHEMBL20425510 | 0.68 | DNM1 (0.53) | — | |
| SCHEMBL10941938 | 0.68 | GABRR1 (0.44) | — | |
| Hydrochloric Acid SCHEMBL9186223 | 0.68 | DNM1 (0.31) | — | |
| SCHEMBL7781427 | 0.68 | DNM1 (0.40) | — | |
| SCHEMBL22295961 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0662829-A1 | POLYAMINE DERIVATIVES AS ANTI-CYTOMEGALOVIRAL AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1995-07-19 | — | — | EP | disclosed |
| WO-1994007480-A1 | POLYAMINE DERIVATIVES AS ANTI-CYTOMEGALOVIRAL AGENTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-04-14 | — | — | WO | disclosed |