⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8086452 | 0.91 | ALDH1A1 (0.35) | — | |
| SCHEMBL1079287 | 0.90 | PHGDH (0.31) | — | |
| SCHEMBL7952884 | 0.79 | PHGDH (0.31) | — | |
| SCHEMBL1096599 | 0.77 | — | — | |
| SCHEMBL11229111 | 0.69 | PHGDH (0.31) | — | |
| SCHEMBL8816142 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL11399453 | 0.69 | PHGDH (0.31) | — | |
| SCHEMBL5747742 | 0.69 | — | — | |
| SCHEMBL1079074 | 0.69 | — | — | |
| SCHEMBL11301441 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0725637-B1 | PARENTERAL BUSULFAN FOR TREATMENT OF MALIGNANT DISEASE | UNIV TEXAS (US) | 2000-11-22 | — | — | EP | disclosed |
| US-5559148-A | Parenteral busulfan for treatment of malignant disease | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1996-09-24 | — | — | US | disclosed |
| US-5430057-A | Aqueous mixture with solvent; anticarcinogenic agents; leukemia, lymphoma | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1995-07-04 | — | — | US | disclosed |