⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11045946 | 0.98 | — | — | |
| SCHEMBL11045942 | 0.98 | — | — | |
| Cyclohexene SCHEMBL8591210 | 0.93 | — | — | |
| SCHEMBL8125367 | 0.93 | — | — | |
| SCHEMBL1171442 | 0.93 | — | — | |
| SCHEMBL10516123 | 0.93 | — | — | |
| SCHEMBL17724661 | 0.82 | — | — | |
| SCHEMBL259931 | 0.82 | — | — | |
| SCHEMBL19002827 | 0.82 | — | — | |
| SCHEMBL10338314 | 0.77 | USP2 (0.36) | — |
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-1998030535-A1 | AMINO ACID COMPOUNDS | COCKBAIN JULIAN (GB) | 1998-07-16 | — | — | WO | disclosed |