⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6611656 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL6611658 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL8300387 | 0.82 | IDH1 (0.34) | — | |
| SCHEMBL8300389 | 0.82 | IDH1 (0.34) | — | |
| SCHEMBL25475425 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL3302863 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL7058824 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL8291352 | 0.80 | SMYD3 (0.33) | — | |
| SCHEMBL6606249 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL6604771 | 0.78 | FKBP1A (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0658545-B1 | Decahydro-isoquinoline derivatives | LILLY CO ELI (US) | 1999-09-29 | — | — | EP | disclosed |
| EP-0383504-B1 | Decahydro isoquinoline derivatives, process for their preparation and use as medicines | LILLY CO ELI (US) | 1995-07-19 | — | — | EP | disclosed |
| EP-0658545-A1 | Decahydro-isoquinoline derivatives | ELI LILLY AND COMPANY (US) | 1995-06-21 | — | — | EP | disclosed |
| EP-0383504-A2 | Decahydro isoquinoline derivatives, process for their preparation and use as medicines | ELI LILLY AND COMPANY (US) | 1990-08-22 | — | — | EP | disclosed |
| US-4902695-A | ISOQUINOLINE DERIVATIVES; NERVOUS SYSTEM DISORDERS | ELI LILLY AND COMPANY (US) | 1990-02-20 | — | — | US | disclosed |