⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12838527 | 0.72 | CYP3A4 (0.33) | — | |
| SCHEMBL8020137 | 0.71 | — | — | |
| SCHEMBL3598286 | 0.71 | — | — | |
| SCHEMBL441462 | 0.68 | KIF11 (0.46) | — | |
| SCHEMBL15944812 | 0.68 | NOS2 (0.33) | — | |
| SCHEMBL222325 | 0.68 | KIF11 (0.46) | — | |
| Water SCHEMBL6741667 | 0.67 | KIF11 (0.45) | — | |
| Hydrochloric Acid SCHEMBL4744896 | 0.67 | KIF11 (0.45) | — | |
| Water SCHEMBL6741664 | 0.67 | KIF11 (0.45) | — | |
| SCHEMBL17953498 | 0.67 | CYP3A4 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0912195-B1 | VACCINE COMPRISING ANTIGENS BOUND TO CARRIERS THROUGH LABILE BONDS | PEPSCAN SYSTEMS BV (NL) | 2009-01-21 | — | — | EP | disclosed |