⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10983672 | 0.77 | ALDH1A1 (0.52) | — | |
| SCHEMBL10983784 | 0.74 | KDM4E (0.34) | — | |
| SCHEMBL5919663 | 0.71 | — | — | |
| SCHEMBL2303866 | 0.69 | — | — | |
| SCHEMBL12148684 | 0.66 | KMT2A (0.33) | — | |
| SCHEMBL9985864 | 0.64 | — | — | |
| SCHEMBL9480539 | 0.63 | NR1H2 (0.47) | — | |
| SCHEMBL5546729 | 0.59 | SLC6A4 (0.45) | — | |
| SCHEMBL186746 | 0.59 | CES2 (0.52) | — | |
| SCHEMBL714545 | 0.59 | — | — |
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 |