⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8068200 | 0.83 | FAAH (0.35) | — | |
| SCHEMBL8082630 | 0.81 | NOS2 (0.33) | — | |
| SCHEMBL8075652 | 0.80 | DPP7 (0.34) | — | |
| SCHEMBL8077588 | 0.80 | DPP7 (0.34) | — | |
| SCHEMBL14090886 | 0.75 | DPP7 (0.44) | — | |
| SCHEMBL7974902 | 0.75 | DPP7 (0.44) | — | |
| SCHEMBL6272635 | 0.73 | NOS2 (0.50) | — | |
| SCHEMBL6272634 | 0.73 | NOS2 (0.50) | — | |
| SCHEMBL8082627 | 0.73 | NOS2 (0.34) | — | |
| Hydrochloric Acid SCHEMBL8067658 | 0.72 | NOS2 (0.49) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0749418-A1 | L-N6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-12-27 | — | — | EP | claimed |
| WO-1995024382-A1 | L-N6-(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1995-09-14 | — | — | WO | claimed |
| US-6143790-A | ENZYME INHIBITORS | G.D. SEARLE & CO. (US) | 2000-11-07 | — | — | US | disclosed |
| EP-0749418-B1 | L-N6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2000-08-30 | — | — | EP | disclosed |
| EP-0749418-A1 | L-N6 -(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-12-27 | — | — | EP | disclosed |
| WO-1995024382-A1 | L-N6-(1-IMINOETHYL)LYSINE DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1995-09-14 | — | — | WO | disclosed |