⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28068398 | 0.80 | GRM4 (0.31) | — | |
| SCHEMBL27620599 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL28913672 | 0.77 | — | — | |
| SCHEMBL16034931 | 0.77 | CCR2 (0.30) | — | |
| SCHEMBL23270881 | 0.74 | — | — | |
| SCHEMBL27447537 | 0.74 | — | — | |
| SCHEMBL29281092 | 0.73 | — | — | |
| SCHEMBL8827273 | 0.73 | — | — | |
| SCHEMBL8381192 | 0.72 | — | — | |
| SCHEMBL29190482 | 0.72 | CYP3A4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1992016512-A1 | ANTI-CANCER COMPOUNDS | BRITISH TECHNOLOGY GROUP PLC (GB) | 1992-10-01 | — | — | WO | disclosed |