⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7121409 | 0.76 | ADH1C (0.33) | — | |
| SCHEMBL7624950 | 0.70 | — | — | |
| SCHEMBL16671685 | 0.66 | MEN1 (0.30) | — | |
| SCHEMBL5262802 | 0.63 | SLC6A2 (0.31) | — | |
| SCHEMBL9801500 | 0.63 | — | — | |
| SCHEMBL5260214 | 0.63 | SLC6A2 (0.31) | — | |
| SCHEMBL9801724 | 0.62 | SLC6A2 (0.31) | — | |
| SCHEMBL6061606 | 0.62 | LMNA (0.32) | — | |
| SCHEMBL10460374 | 0.62 | — | — | |
| SCHEMBL9801157 | 0.62 | SLC6A2 (0.31) | — |
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-6444677-B2 | TREATMENT OF INFLAMMATION, CARDIOVASCULAR DISEASE, PAIN, ETC. | PFIZER INC. | 2002-09-03 | — | — | US | disclosed |