⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14211014 | 0.73 | — | — | |
| SCHEMBL270568 | 0.73 | — | — | |
| SCHEMBL5617853 | 0.71 | — | — | |
| SCHEMBL8564271 | 0.71 | — | — | |
| SCHEMBL4282389 | 0.71 | — | — | |
| SCHEMBL9555283 | 0.71 | — | — | |
| SCHEMBL6657833 | 0.71 | — | — | |
| SCHEMBL10755266 | 0.71 | ADH1B (0.32) | — | |
| SCHEMBL540010 | 0.69 | — | — | |
| SCHEMBL18677440 | 0.69 | — | — |
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-5532228-A | ANTITUMOR, PSORIASIS | SCHERING AKTIENGESELLSCHAFT (DE) | 1996-07-02 | — | — | US | disclosed |