⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26318922 | 0.77 | DNM1 (0.39) | — | |
| SCHEMBL14892794 | 0.76 | MEN1 (0.35) | — | |
| SCHEMBL14892638 | 0.73 | MEN1 (0.37) | — | |
| SCHEMBL8631274 | 0.70 | NOS2 (0.42) | — | |
| SCHEMBL24711284 | 0.69 | — | — | |
| SCHEMBL9749123 | 0.69 | — | — | |
| SCHEMBL20961930 | 0.67 | — | — | |
| SCHEMBL14891731 | 0.65 | MEN1 (0.38) | — | |
| SCHEMBL5074185 | 0.64 | ALDH1A1 (0.41) | — | |
| SCHEMBL322671 | 0.64 | ALDH1A1 (0.41) | — |
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-5830917-A | L-N6 -(1-iminoethyl) lysine derivatives useful as nitric oxide synthase inhibitors | G. D. SEARLE & CO. (US) | 1998-11-03 | — | — | US | disclosed |