⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9520793 | 0.89 | — | — | |
| SCHEMBL9755769 | 0.88 | — | — | |
| SCHEMBL8913965 | 0.87 | MIF (0.33) | — | |
| SCHEMBL8900585 | 0.81 | — | — | |
| SCHEMBL9755785 | 0.74 | — | — | |
| SCHEMBL8528678 | 0.72 | — | — | |
| SCHEMBL8531831 | 0.69 | NLRP3 (0.31) | — | |
| SCHEMBL8528978 | 0.69 | — | — | |
| SCHEMBL8527887 | 0.68 | — | — | |
| SCHEMBL8900793 | 0.67 | AKT1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5606037-A | Processes antineoplastic heteronaphthoquinones | BIOCHEM PHARMA INC. (CA) | 1997-02-25 | — | — | US | claimed |
| US-5606037-A | Processes antineoplastic heteronaphthoquinones | BIOCHEM PHARMA INC. (CA) | 1997-02-25 | — | — | US | disclosed |
| US-5593970-A | ANTITUMOR AND ANTCARCINOGENIC AGENTS; TRETMENT OF CANCEROUS BONE MARROW BEFORE REGRAFTING | BIOCHEM PHARMA INC. (CA) | 1997-01-14 | — | — | US | disclosed |