⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL48991 | 0.72 | — | — | |
| SCHEMBL7786440 | 0.72 | — | — | |
| Iodide SCHEMBL1993156 | 0.67 | — | — | |
| SCHEMBL1275690 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL875610 | 0.67 | — | — | |
| SCHEMBL2483282 | 0.67 | — | — | |
| SCHEMBL2723641 | 0.67 | — | — | |
| Acetamide SCHEMBL29532045 | 0.67 | — | — | |
| Bromide SCHEMBL7440763 | 0.67 | — | — | |
| SCHEMBL27461889 | 0.63 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4477666-A | ANTICARCINO GENIC AGENTS | TOYAMA CHEMICAL CO., LTD. (JP) | 1984-10-16 | — | — | US | disclosed |
| US-4477664-A | CARCINOSTATIC ACTIVITY, LOW TOXICITY, INTERMEDIATES | TOYAMA CHEMICAL CO., LTD. (JP) | 1984-10-16 | — | — | US | disclosed |
| US-4460774-A | ANTICARCINOGENIC AGENTS | TOYAMA CHEMICAL COMPANY, LIMITED (JP) | 1984-07-17 | — | — | US | disclosed |
| US-4448963-A | ANTICARCINOGENS | TOYAMA CHEMICAL CO., LTD. (JP) | 1984-05-15 | — | — | US | disclosed |
| US-4436921-A | CARCINOSTATIC ACTIVITY | TOYAMA CHEMICAL CO., LTD. (JP) | 1984-03-13 | — | — | US | disclosed |