⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2947790 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL643944 | 0.72 | PREP (0.32) | — | |
| SCHEMBL12059464 | 0.70 | PTGS2 (0.40) | — | |
| SCHEMBL643942 | 0.70 | — | — | |
| SCHEMBL7425237 | 0.69 | IDO1 (0.47) | — | |
| SCHEMBL643648 | 0.69 | FYN (0.40) | — | |
| SCHEMBL31054298 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL2860155 | 0.67 | CYP19A1 (0.36) | — | |
| SCHEMBL2636216 | 0.67 | ALDH1A1 (0.58) | — | |
| SCHEMBL2346672 | 0.67 | ACHE (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0758312-B1 | SUBSTITUTED FUSED AND BRIDGED BICYCLIC COMPOUNDS AS THERAPEUTIC AGENTS | LILLY CO ELI (US) | 1999-12-22 | — | — | EP | disclosed |
| WO-1996005729-A1 | VICINAL-SUBSTITUTED CARBOCYCLIC COMPOUNDS AS THERAPEUTIC AGENTS | ELI LILLY AND COMPANY (US) | 1996-02-29 | — | — | WO | disclosed |
| WO-1995030640-A1 | SUBSTITUTED FUSED AND BRIDGED BICYCLIC COMPOUNDS AS THERAPEUTIC AGENTS | ELI LILLY AND COMPANY (US) | 1995-11-16 | — | — | WO | disclosed |
| US-5432198-A | Enzyme inhibitors | SPHINX PHARMACEUTICALS CORPORATION (US) | 1995-07-11 | — | — | US | disclosed |