⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1669865 | 0.67 | — | — | |
| SCHEMBL20686759 | 0.67 | INMT (0.50) | — | |
| SCHEMBL7395015 | 0.66 | — | — | |
| Iodide SCHEMBL4248459 | 0.64 | — | — | |
| SCHEMBL9380314 | 0.64 | NOS3 (0.42) | — | |
| Iodide SCHEMBL7327950 | 0.64 | HTT (0.39) | — | |
| SCHEMBL597763 | 0.61 | — | — | |
| Iodomethane SCHEMBL9434948 | 0.61 | NOS3 (0.39) | — | |
| SCHEMBL10189894 | 0.60 | — | — | |
| SCHEMBL20024922 | 0.58 | BRD4 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996014844-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-05-23 | — | — | WO | disclosed |