⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2494965 | 0.77 | CA12 (0.41) | — | |
| SCHEMBL7529612 | 0.75 | — | — | |
| SCHEMBL23522669 | 0.74 | MAPT (0.39) | — | |
| SCHEMBL514188 | 0.74 | LMNA (0.40) | — | |
| SCHEMBL7185597 | 0.74 | MTNR1A (0.32) | — | |
| Hydrochloric Acid SCHEMBL27941508 | 0.71 | MAPT (0.36) | — | |
| SCHEMBL9985101 | 0.70 | — | — | |
| SCHEMBL7188825 | 0.70 | — | — | |
| SCHEMBL7188187 | 0.66 | — | — | |
| SCHEMBL3059742 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1192178-A2 | RUFOMYCINS AND DERIVATIVES THEREOF USEFUL AS INHIBITORS OF MULTI-DRUG RESISTANCE ASSOCIATED PROTEIN-1 (MRP-1) | ELI LILLY AND COMPANY (US) | 2002-04-03 | — | — | EP | claimed |
| WO-2000078795-A2 | RUFOMYCINS AND DERIVATIVES THEREOF USEFUL AS INHIBITORS OF MULTI-DRUG RESISTANCE ASSOCIATED PROTEIN-1 (MRP-1) | ELI LILLY AND COMPANY (US) | 2000-12-28 | — | — | WO | claimed |