⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7973856 | 0.89 | CA12 (0.31) | — | |
| SCHEMBL7977025 | 0.89 | — | — | |
| SCHEMBL7974904 | 0.66 | DPP7 (0.35) | — | |
| SCHEMBL8178081 | 0.66 | ARG1 (0.49) | — | |
| Hydrochloric Acid SCHEMBL27474357 | 0.64 | GSR (0.46) | — | |
| SCHEMBL934762 | 0.64 | GSR (0.48) | — | |
| SCHEMBL7974900 | 0.64 | GSR (0.48) | — | |
| Hydrochloric Acid SCHEMBL4581849 | 0.63 | GSR (0.47) | — | |
| Hydrochloric Acid SCHEMBL4424849 | 0.63 | GSR (0.47) | — | |
| Hydrochloric Acid SCHEMBL7974008 | 0.63 | GSR (0.47) | — |
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-2001005748-A1 | OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | MONSANTO COMPANY (US) | 2001-01-25 | — | — | WO | disclosed |