⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29573959 | 0.77 | NOS3 (0.39) | — | |
| SCHEMBL20634317 | 0.77 | NOS3 (0.39) | — | |
| Hydrochloric Acid SCHEMBL30150929 | 0.75 | NOS3 (0.38) | — | |
| Hydrochloric Acid SCHEMBL29492922 | 0.75 | NOS3 (0.38) | — | |
| Hydrochloric Acid SCHEMBL28596061 | 0.75 | NOS3 (0.38) | — | |
| SCHEMBL25201444 | 0.65 | HTR2C (0.36) | — | |
| SCHEMBL30042166 | 0.65 | HTR2C (0.36) | — | |
| SCHEMBL23944932 | 0.62 | PARP1 (0.46) | — | |
| SCHEMBL11325134 | 0.62 | PNMT (0.51) | — | |
| SCHEMBL8369779 | 0.62 | CES1 (0.44) | — |
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-115667225-A | Compound (I) | 詹森药业有限公司 | 2023-01-31 | — | — | CN | disclosed |