⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8552663 | 0.71 | SMN1; SMN2 (0.52) | — | |
| SCHEMBL13118696 | 0.68 | — | — | |
| SCHEMBL7620898 | 0.68 | — | — | |
| SCHEMBL13647454 | 0.68 | — | — | |
| SCHEMBL7622387 | 0.65 | — | — | |
| SCHEMBL91628 | 0.60 | — | — | |
| Hydrochloric Acid SCHEMBL84002 | 0.58 | — | — | |
| SCHEMBL24031520 | 0.57 | — | — | |
| SCHEMBL6036829 | 0.57 | ALDH1A1 (0.54) | — | |
| SCHEMBL18338534 | 0.57 | — | — |
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 |