⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL41324 | 0.96 | — | — | |
| Water SCHEMBL3690877 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL22119999 | 0.92 | — | — | |
| Iodide SCHEMBL8333481 | 0.92 | — | — | |
| Butane SCHEMBL9862606 | 0.92 | OPRM1 (0.38) | — | |
| Hydrochloric Acid SCHEMBL2357021 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL9440472 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL3916448 | 0.92 | — | — | |
| Iodide SCHEMBL2697243 | 0.92 | — | — | |
| Charcoal, Activated SCHEMBL6182501 | 0.92 | — | — |
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-5100877-A | Chemotherapy, anticancer agents, improved water solubility, side effect reduction | KURARAY CO., LTD. (JP) | 1992-03-31 | — | — | US | disclosed |
| US-4948784-A | ANTICARCINOGENIC AND-TUMOR AGENTS; WATER-SOLUBEL MACROMOLICULAR COMPLEXES; SIDE EFFECT REDUCTION | KURARAY COMPANY, LTD. (JP) | 1990-08-14 | — | — | US | disclosed |
| EP-0219936-A1 | Novel platinum complexes | Nippon Kayaku Kabushiki Kaisha (JP) | 1987-04-29 | — | — | EP | disclosed |