⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1649846 | 0.96 | — | — | |
| SCHEMBL8423168 | 0.96 | — | — | |
| SCHEMBL15710033 | 0.96 | — | — | |
| SCHEMBL23803095 | 0.85 | EPHX1 (0.35) | — | |
| SCHEMBL18671006 | 0.82 | — | — | |
| SCHEMBL19198233 | 0.82 | GABRR1 (0.31) | — | |
| SCHEMBL9779918 | 0.82 | GABRR1 (0.31) | — | |
| SCHEMBL18428581 | 0.80 | EPHX1 (0.36) | — | |
| SCHEMBL4967294 | 0.80 | — | — | |
| SCHEMBL2484460 | 0.80 | EPHX1 (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0482172-A1 | ANTI-TUMOR AGENTS HAVING REDUCED TOXICITY ON THE BASIS OF CYTOSTATIC AGENTS AND XANTHOGENATES | Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) | 1992-04-29 | — | — | EP | claimed |
| WO-1991017757-A1 | ANTI-TUMOR AGENTS HAVING REDUCED TOXICITY ON THE BASIS OF CYTOSTATIC AGENTS AND XANTHOGENATES | DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) | 1991-11-28 | — | — | WO | claimed |
| US-5023335-A | Antitumor agents | ASTA PHARMA AKTIENGESELLSCHAFT | 1991-06-11 | — | — | US | claimed |
| EP-0482172-A1 | ANTI-TUMOR AGENTS HAVING REDUCED TOXICITY ON THE BASIS OF CYTOSTATIC AGENTS AND XANTHOGENATES | Deutsches Krebsforschungszentrum Stiftung des öffentlichen Rechts (DE) | 1992-04-29 | — | — | EP | disclosed |
| WO-1991017757-A1 | ANTI-TUMOR AGENTS HAVING REDUCED TOXICITY ON THE BASIS OF CYTOSTATIC AGENTS AND XANTHOGENATES | DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) | 1991-11-28 | — | — | WO | disclosed |
| US-5023335-A | Antitumor agents | ASTA PHARMA AKTIENGESELLSCHAFT | 1991-06-11 | — | — | US | disclosed |
| US-5023335-A | Antitumor agents | ASTA PHARMA AKTIENGESELLSCHAFT | 1991-06-11 | — | — | US | disclosed |