⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15962394 | 0.77 | — | — | |
| SCHEMBL443100 | 0.77 | — | — | |
| SCHEMBL10454724 | 0.72 | MAOB (0.33) | — | |
| SCHEMBL5073352 | 0.68 | — | — | |
| SCHEMBL15247086 | 0.68 | KMT2A (0.36) | — | |
| SCHEMBL3458804 | 0.66 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL11694262 | 0.65 | — | — | |
| SCHEMBL9999340 | 0.63 | — | — | |
| SCHEMBL844526 | 0.62 | — | — | |
| SCHEMBL2744703 | 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 |
|---|---|---|---|---|---|---|---|
| US-6241961-B1 | ADMINISTERING TO BONE MARROW OF PATIENT A DOSE OF A MONOCLONAL ANTIBODY OR ANTIBODY FRAGMENT STABLY COUPLED TO A CADMIUM-66 RADIOISOTOPE; SIDE EFFECT REDUCTION | BENES IVAN FRIEDRICH (CH) | 2001-06-05 | — | — | US | disclosed |
| EP-0972528-A2 | Radioimmunoconjugate for use in human therapy and its preparation | Benes, Ivan Friedrich Dr. med. Dr. rer. nat. PhD. (CH) | 2000-01-19 | — | — | EP | disclosed |