⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1446691 | 0.77 | — | — | |
| SCHEMBL22358627 | 0.75 | — | — | |
| SCHEMBL14927310 | 0.75 | — | — | |
| SCHEMBL28293955 | 0.75 | ALDH1A1 (0.42) | — | |
| SCHEMBL22342371 | 0.75 | CPA1 (0.38) | — | |
| SCHEMBL28118752 | 0.75 | CPA1 (0.38) | — | |
| SCHEMBL19283839 | 0.73 | CPA1 (0.50) | — | |
| SCHEMBL28677669 | 0.73 | CPA1 (0.41) | — | |
| SCHEMBL15053421 | 0.71 | CPA1 (0.44) | — | |
| SCHEMBL15053420 | 0.71 | CPA1 (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1190390-A | Nitric oxide synthase inhibitors derived from cyclic amidines | SEARLE & CO (US) | 1998-08-12 | — | — | CN | disclosed |
| 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 |
| US-4469703-A | FUNGICIDES | EGYT GYOGYSZERVEGYESZETI GYAR (HU) | 1984-09-04 | — | — | US | disclosed |