⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL114520 | 0.82 | ALDH1A1 (0.41) | — | |
| SCHEMBL27831111 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL28263582 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL28259572 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL3429974 | 0.74 | — | — | |
| SCHEMBL2709589 | 0.74 | — | — | |
| SCHEMBL11750515 | 0.72 | — | — | |
| SCHEMBL28084867 | 0.72 | BLM (0.32) | — | |
| SCHEMBL2856240 | 0.71 | — | — | |
| SCHEMBL28535859 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1305293-A1 | HEXAHYDRO-7-IMINO-1H-AZEPIN-2-YL-HEXANOIC ACID DERIVATIVES AS INHIBITORS OF INDUCIBLE NITRIC OXIDE SYNTHASE | Pharmacia Corporation (US) | 2003-05-02 | — | — | EP | disclosed |
| WO-2002010139-A1 | HEXAHYDRO-7-1H-AZEPIN-2-YL-HAXANOIC ACID DERIVATIVES AS INHIBITORS OF INDUCIBLE NITRIC OXIDE SYNTHASE | PHARMACIA CORPORATION (US) | 2002-02-07 | — | — | WO | disclosed |