⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL304485 | 1.00 | — | — | |
| SCHEMBL6894066 | 0.82 | HCAR2 (0.36) | — | |
| SCHEMBL187616 | 0.80 | — | — | |
| SCHEMBL28404629 | 0.80 | ALDH1A1 (0.60) | — | |
| SCHEMBL12315103 | 0.80 | ALDH1A1 (0.60) | — | |
| SCHEMBL306274 | 0.79 | TSHR (0.43) | — | |
| SCHEMBL26441580 | 0.79 | ALDH1A1 (0.52) | — | |
| SCHEMBL3815702 | 0.79 | TSHR (0.38) | — | |
| SCHEMBL10663016 | 0.79 | TSHR (0.37) | — | |
| SCHEMBL10662875 | 0.79 | MAPT (0.42) | — |
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-4816452-A | ANTIBIOTICS | BEECHAM GROUP P.L.C. (GB) | 1989-03-28 | — | — | US | disclosed |