⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27928110 | 1.00 | — | — | |
| SCHEMBL304034 | 0.87 | ALDH1A1 (0.41) | — | |
| SCHEMBL792476 | 0.76 | — | — | |
| SCHEMBL28033707 | 0.73 | NOS2 (0.47) | — | |
| SCHEMBL16090062 | 0.73 | NOS2 (0.47) | — | |
| SCHEMBL125453 | 0.73 | — | — | |
| SCHEMBL25241202 | 0.71 | — | — | |
| SCHEMBL4866195 | 0.71 | — | — | |
| SCHEMBL2259059 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL1313405 | 0.70 | — | — |
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-20220340893-A1 | BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES | NUEVOLUTION A/S (DK) | 2022-10-27 | — | — | US | disclosed |