⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2212458 | 0.68 | ACHE (0.32) | — | |
| Bicarbonate SCHEMBL570721 | 0.52 | CA1 (1.00) | — | |
| Bicarbonate SCHEMBL6478072 | 0.52 | CA1 (1.00) | — | |
| Bicarbonate SCHEMBL570968 | 0.52 | CA1 (1.00) | — | |
| Bicarbonate SCHEMBL11066368 | 0.52 | CA1 (1.00) | — | |
| Bicarbonate SCHEMBL7794 | 0.52 | — | — | |
| Bicarbonate SCHEMBL9672524 | 0.52 | CA1 (1.00) | — | |
| Bicarbonate SCHEMBL1179 | 0.52 | — | — | |
| Bicarbonate SCHEMBL15271537 | 0.52 | — | — | |
| Bicarbonate SCHEMBL8322803 | 0.52 | CA1 (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 1 patent. 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 |