⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL94704 | 0.74 | — | — | |
| SCHEMBL9577981 | 0.65 | — | — | |
| SCHEMBL30697239 | 0.57 | — | — | |
| SCHEMBL285538 | 0.57 | — | — | |
| SCHEMBL30069203 | 0.57 | — | — | |
| Acetonitrile SCHEMBL31357011 | 0.56 | — | — | |
| Acetonitrile SCHEMBL1594871 | 0.56 | — | — | |
| Acetonitrile SCHEMBL3701719 | 0.56 | — | — | |
| Acetonitrile SCHEMBL59423 | 0.56 | — | — | |
| SCHEMBL6593530 | 0.53 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE36617-E | Anastrozole and salts as anticancer agent | ZENECA LIMITED (GB) | 2000-03-14 | — | — | US | claimed |
| EP-0296749-B1 | (Substituted aralkyl) heterocyclic compounds | ZENECA LTD (GB) | 1994-10-26 | — | — | EP | claimed |
| US-4935437-A | (Substituted aralkyl) heterocyclic compounds | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1990-06-19 | — | — | US | claimed |