⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21972847 | 0.84 | CYP3A4 (0.33) | — | |
| SCHEMBL21973051 | 0.71 | ALOX5 (0.34) | — | |
| SCHEMBL21972849 | 0.70 | ALOX5 (0.35) | — | |
| SCHEMBL21973055 | 0.70 | CYP3A4 (0.34) | — | |
| SCHEMBL21973049 | 0.70 | IMPDH1 (0.35) | — | |
| SCHEMBL21972842 | 0.69 | FNTA (0.34) | — | |
| SCHEMBL21973056 | 0.67 | ALOX5 (0.38) | — | |
| SCHEMBL21972848 | 0.61 | ALOX5 (0.39) | — | |
| SCHEMBL28554856 | 0.52 | ATM (0.40) | — | |
| SCHEMBL27390763 | 0.51 | ALDH1A1 (0.49) | — |
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-20200140450-A1 | CHEMICAL METHOD OF PRODUCING SMTP GROUPS OR SMTP-7 AND INTERMEDIATES USED IN THE METHOD | SHOWA UNIVERSITY (JP) | 2020-05-07 | — | — | US | disclosed |