⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6841722 | 0.69 | CHEK1 (0.34) | — | |
| SCHEMBL2290085 | 0.68 | EGFR (0.33) | — | |
| SCHEMBL20184783 | 0.66 | TP53 (0.34) | — | |
| SCHEMBL645025 | 0.65 | — | — | |
| SCHEMBL1679639 | 0.63 | MAPT (0.44) | — | |
| Hydrochloric Acid SCHEMBL7474242 | 0.61 | MAPT (0.43) | — | |
| SCHEMBL8524753 | 0.61 | CYP3A4 (0.38) | — | |
| SCHEMBL21586 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL6535445 | 0.60 | HDAC3 (0.37) | — | |
| Hydrochloric Acid SCHEMBL8509046 | 0.60 | HDAC3 (0.37) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8575385-B2 | Process of making optically pure melphalan | NAVINTA LLC (US) | 2013-11-05 | — | — | US | disclosed |
| EP-2268827-B1 | PROCESS OF MAKING OPTICALLY PURE MELPHALAN | NAVINTA LLC (US) | 2013-10-09 | — | — | EP | disclosed |
| WO-2009117164-A1 | PROCESS OF MAKING OPTICALLY PURE MELPHALAN | NAVINTA LLC (US) | 2009-09-24 | — | — | WO | disclosed |
| US-20090240074-A1 | Process Of Making Optically Pure Melphalan | PROVIDENT BANK | 2009-09-24 | — | — | US | disclosed |