⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7143344 | 0.81 | TDP1 (0.31) | — | |
| SCHEMBL1184526 | 0.81 | — | — | |
| SCHEMBL6207667 | 0.79 | — | — | |
| SCHEMBL7434231 | 0.77 | — | — | |
| SCHEMBL7493840 | 0.76 | — | — | |
| SCHEMBL10692533 | 0.72 | — | — | |
| SCHEMBL7141389 | 0.71 | — | — | |
| SCHEMBL6900157 | 0.71 | — | — | |
| SCHEMBL17796262 | 0.66 | — | — | |
| SCHEMBL20156541 | 0.64 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6743794-B2 | MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE | ELI LILLY AND COMPANY | 2004-06-01 | — | — | US | disclosed |