⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6937738 | 1.00 | — | — | |
| SCHEMBL6934415 | 1.00 | — | — | |
| SCHEMBL17074719 | 0.80 | CA2 (0.31) | — | |
| SCHEMBL8488012 | 0.80 | CA2 (0.31) | — | |
| SCHEMBL11375906 | 0.76 | MAPK1 (0.40) | — | |
| SCHEMBL21858880 | 0.75 | CA2 (0.32) | — | |
| SCHEMBL9319450 | 0.74 | PIK3CD (0.36) | — | |
| SCHEMBL7009076 | 0.74 | — | — | |
| SCHEMBL650313 | 0.74 | — | — | |
| SCHEMBL11882786 | 0.74 | — | — |
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-1339686-A2 | CYANOGUANIDINE PRODRUGS | Leo Pharma A/S (DK) | 2003-09-03 | — | — | EP | disclosed |
| WO-2002042265-A2 | CYANOGUANIDINE PRODRUGS | LEO PHARMA A/S (DK) | 2002-05-30 | — | — | WO | disclosed |