⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7786347 | 0.75 | — | — | |
| SCHEMBL10705378 | 0.72 | LDHA (0.38) | — | |
| SCHEMBL11726569 | 0.71 | — | — | |
| Propionic Acid SCHEMBL109638 | 0.70 | — | — | |
| Acetic Acid SCHEMBL27592170 | 0.69 | — | — | |
| SCHEMBL4273555 | 0.69 | TDP1 (0.35) | — | |
| Oxalic Acid SCHEMBL10596815 | 0.67 | FFAR3 (0.83) | — | |
| Propionic Acid SCHEMBL18815300 | 0.67 | — | — | |
| Propionic Acid SCHEMBL1332599 | 0.65 | — | — | |
| Propionic Acid SCHEMBL1462509 | 0.65 | FFAR3 (1.00) | — |
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 5 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 |
| CN-1129942-B | Aza spiro-compounds acting on the cholinergic system with muscarinic agonist activity | ISRAEL INST BIOLOG RES | 2011-08-10 | — | — | CN | disclosed |
| CN-101208299-A | Diarylsulfone sulfonamides and use therof | WYETH CORP (US) | 2008-06-25 | — | — | CN | disclosed |
| CN-1129942-A | Aza spiro-compounds acting on the cholinergic system with muscarinic agonist activity | ISRAEL INST BIOLOG RES (IL) | 1996-08-28 | — | — | CN | disclosed |
| US-4898899-A | Adhesive composition | TOAGOSEI CHEMICAL INDUSTRY CO. (JP) | 1990-02-06 | — | — | US | disclosed |