⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20045065 | 1.00 | — | — | |
| SCHEMBL20045073 | 0.79 | — | — | |
| SCHEMBL20045074 | 0.79 | — | — | |
| SCHEMBL20045061 | 0.77 | — | — | |
| SCHEMBL20045062 | 0.77 | — | — | |
| SCHEMBL6860971 | 0.67 | ABAT (0.55) | — | |
| SCHEMBL14175553 | 0.67 | ABAT (0.55) | — | |
| SCHEMBL20045066 | 0.64 | ABAT (0.52) | — | |
| SCHEMBL20045064 | 0.60 | NOS3 (0.32) | — | |
| SCHEMBL20045059 | 0.60 | NOS3 (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 |
|---|---|---|---|---|---|---|---|
| US-20180098952-A1 | INACTIVATORS OF TOXOPLASMA GONDII ORNITHINE AMINOTRANSFERASE FOR TREATING TOXOPLASMOSIS AND MALARIA | NORTHWESTERN UNIVERSITY (US) | 2018-04-12 | — | — | US | disclosed |