⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4096257 | 0.83 | — | — | |
| SCHEMBL390994 | 0.82 | ADRB2 (0.39) | — | |
| SCHEMBL5562318 | 0.80 | THRB (0.35) | — | |
| SCHEMBL5560658 | 0.79 | — | — | |
| SCHEMBL5561556 | 0.78 | THRB (0.40) | — | |
| SCHEMBL2950795 | 0.75 | — | — | |
| SCHEMBL5167962 | 0.73 | — | — | |
| SCHEMBL29199375 | 0.71 | — | — | |
| SCHEMBL1723555 | 0.71 | — | — | |
| SCHEMBL2919593 | 0.71 | ADRB2 (0.45) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2978427-B1 | FE(III) COMPLEX COMPOUNDS FOR TREATING AND PROPHYLAXIS FOR ANAEMIA SYMPTOMS AND ANAEMIA | VIFOR INT AG (CH) | 2018-08-08 | — | — | EP | claimed |
| EP-1360257-B1 | CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS | LOCTITE R & D LTD (IE) | 2007-07-25 | — | — | EP | claimed |