⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9426958 | 0.72 | — | — | |
| SCHEMBL14397846 | 0.70 | — | — | |
| SCHEMBL15840988 | 0.70 | — | — | |
| SCHEMBL15415822 | 0.70 | — | — | |
| SCHEMBL11420015 | 0.70 | — | — | |
| SCHEMBL647432 | 0.70 | — | — | |
| SCHEMBL647433 | 0.70 | — | — | |
| SCHEMBL648788 | 0.70 | — | — | |
| SCHEMBL11769174 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL11772837 | 0.67 | ALDH1A1 (0.33) | — |
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 2 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 |