⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8589455 | 0.81 | — | — | |
| SCHEMBL8554107 | 0.75 | — | — | |
| SCHEMBL27427182 | 0.73 | HTT (0.38) | — | |
| SCHEMBL9092767 | 0.71 | NOS2 (0.38) | — | |
| SCHEMBL8550414 | 0.71 | NOS2 (0.38) | — | |
| SCHEMBL12684729 | 0.70 | — | — | |
| SCHEMBL18628330 | 0.67 | — | — | |
| SCHEMBL24532573 | 0.67 | MKNK1 (0.33) | — | |
| SCHEMBL2911469 | 0.67 | MKNK1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL29091021 | 0.66 | MKNK1 (0.33) | — |
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-0824523-A1 | NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES | G.D. Searle & Co. (US) | 1998-02-25 | — | — | EP | disclosed |
| WO-1996035677-A1 | NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES | G.D. SEARLE & CO. (US) | 1996-11-14 | — | — | WO | disclosed |