⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15578563 | 0.66 | — | — | |
| SCHEMBL24454859 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL29110948 | 0.61 | — | — | |
| SCHEMBL14725572 | 0.59 | — | — | |
| Bicarbonate SCHEMBL29168506 | 0.59 | ALDH1A1 (0.30) | — | |
| SCHEMBL19861932 | 0.58 | MAPT (0.32) | — | |
| SCHEMBL13559270 | 0.58 | — | — | |
| SCHEMBL4624479 | 0.58 | — | — | |
| SCHEMBL14725573 | 0.58 | — | — | |
| SCHEMBL7051299 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022035763-A1 | BORON CONTAINING COMPOUNDS AND THEIR USES | 5METIS, INC. (US) | 2022-02-17 | — | — | WO | disclosed |