⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8922775 | 0.90 | — | — | |
| SCHEMBL8922965 | 0.72 | PPARG (0.31) | — | |
| SCHEMBL9586113 | 0.71 | METAP2 (0.33) | — | |
| SCHEMBL8310840 | 0.60 | PPARA (0.42) | — | |
| SCHEMBL8922764 | 0.58 | PPARG (0.42) | — | |
| SCHEMBL6372914 | 0.57 | PPARA (0.47) | — | |
| SCHEMBL8310839 | 0.57 | ACE (0.42) | — | |
| SCHEMBL4462979 | 0.55 | PPARG (0.40) | — | |
| SCHEMBL1741031 | 0.53 | ACE (0.58) | — | |
| SCHEMBL10268771 | 0.53 | ACE (0.58) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5616579-A | ADMINISTERING TO MAMMALS TO PREVENT GASTRIC ULCER | SANKYO COMPANY, LIMITED (JP) | 1997-04-01 | — | — | US | disclosed |
| US-5252721-A | S3 N chelating compounds | NEORX CORPORATION (US) | 1993-10-12 | — | — | US | disclosed |