⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37820 | 0.97 | — | — | |
| SCHEMBL158873 | 0.97 | — | — | |
| SCHEMBL28102985 | 0.97 | — | — | |
| SCHEMBL15532505 | 0.97 | — | — | |
| SCHEMBL29991872 | 0.97 | — | — | |
| SCHEMBL329377 | 0.97 | — | — | |
| Methane SCHEMBL1864910 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL28282629 | 0.94 | — | — | |
| Tetrahydrofuran SCHEMBL6661741 | 0.86 | ALDH1A1 (0.42) | — | |
| Bicarbonate SCHEMBL7173560 | 0.86 | MAPK1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-115785088-A | Compounds as SOS1 inhibitors and uses thereof | 南京圣和药业股份有限公司 | 2023-03-14 | — | — | CN | disclosed |