⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6668072 | 0.78 | — | — | |
| Acetone SCHEMBL22235 | 0.76 | — | — | |
| SCHEMBL6663276 | 0.75 | — | — | |
| SCHEMBL6666966 | 0.75 | — | — | |
| Acetone SCHEMBL31094925 | 0.73 | — | — | |
| Acetic Acid SCHEMBL9247922 | 0.73 | — | — | |
| Acetone SCHEMBL27459409 | 0.73 | LMNA (0.55) | — | |
| Acetic Acid SCHEMBL28502192 | 0.73 | FFAR3 (0.64) | — | |
| Acetone SCHEMBL6314334 | 0.73 | — | — | |
| Butanedione SCHEMBL27597983 | 0.73 | TSHR (0.64) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210289794-A1 | COMPOSITIONS AND RELATED METHODS FOR AGRICULTURE | FLAGSHIP PIONEERING INNOVATIONS V, INC. | 2021-09-23 | — | — | US | disclosed |
| US-20080070086-A1 | Phase-Separated Polymer Electrolyte Membrane, Electrode - Phase-Separated Polymer Electrolyte Membrane Joint Using Same, Method for Manufacture Thereof, and Fuel Cell Using Same | HITACHI CHEMICAL COMPANY, LTD. (JP) | 2008-03-20 | — | — | US | disclosed |