⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7659117 | 0.84 | CA12 (0.35) | — | |
| SCHEMBL25758895 | 0.84 | CA12 (0.35) | — | |
| SCHEMBL7441811 | 0.84 | CA12 (0.35) | — | |
| SCHEMBL14440425 | 0.84 | CA12 (0.35) | — | |
| SCHEMBL11548963 | 0.84 | CA12 (0.35) | — | |
| SCHEMBL6772886 | 0.84 | CA12 (0.35) | — | |
| SCHEMBL25758875 | 0.84 | CA12 (0.35) | — | |
| SCHEMBL14440399 | 0.84 | CA12 (0.35) | — | |
| SCHEMBL13573014 | 0.81 | — | — | |
| SCHEMBL11548094 | 0.81 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6673809-B2 | INHIBITING RESISTANT NEOPLASM, OR NEOPLASM SUSCEPTIBLE TO RESISTANCE | ELI LILLY AND COMPANY | 2004-01-06 | — | — | US | disclosed |
| US-20030216425-A1 | Tricyclic compounds as mrp1-inhibitors | ELI LILLY AND COMPANY | 2003-11-20 | — | — | US | disclosed |
| EP-1301518-A1 | TRICYCLIC COMPOUNDS AS MRP1-INHIBITORS | ELI LILLY AND COMPANY (US) | 2003-04-16 | — | — | EP | disclosed |
| WO-2001096346-A1 | TRICYCLIC COMPOUNDS AS MRP1-INHIBITORS | ELI LILLY AND COMPANY (US) | 2001-12-20 | — | — | WO | disclosed |