⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5028277 | 0.65 | — | — | |
| SCHEMBL30262406 | 0.62 | — | — | |
| SCHEMBL4922163 | 0.59 | — | — | |
| SCHEMBL30762027 | 0.58 | — | — | |
| SCHEMBL13003884 | 0.57 | — | — | |
| SCHEMBL29207778 | 0.56 | CA1 (0.39) | — | |
| Formic Acid Methyl Ester SCHEMBL9113298 | 0.53 | ALDH1A1 (0.30) | — | |
| Propiolactone SCHEMBL6240411 | 0.53 | — | — | |
| SCHEMBL8989855 | 0.52 | — | — | |
| SCHEMBL4945135 | 0.51 | CYP3A4 (0.39) | — |
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-20090093640-A1 | modular synthesis of tetracycline analogs through a chiral enone intermediate; efficiency | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-04-09 | — | — | US | disclosed |