⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL762378 | 0.70 | — | — | |
| SCHEMBL12676371 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL30549484 | 0.68 | AURKA (0.35) | — | |
| Hydrochloric Acid SCHEMBL21412256 | 0.68 | — | — | |
| SCHEMBL19597604 | 0.67 | — | — | |
| SCHEMBL20419665 | 0.67 | — | — | |
| SCHEMBL19152161 | 0.63 | PARP1 (0.36) | — | |
| SCHEMBL1234972 | 0.58 | — | — | |
| SCHEMBL6954913 | 0.55 | — | — | |
| SCHEMBL3332843 | 0.53 | KIF11 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0135252-A2 | Process for preparing 3-substituted-3-aminonitrile | ELI LILLY AND COMPANY (US) | 1985-03-27 | — | — | EP | disclosed |