⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3700409 | 0.81 | DDAH1 (0.31) | — | |
| SCHEMBL2104504 | 0.79 | PKM (0.30) | — | |
| SCHEMBL20287905 | 0.79 | — | — | |
| SCHEMBL3695171 | 0.78 | GLA (0.31) | — | |
| Hydrochloric Acid SCHEMBL5447065 | 0.78 | HTT (0.32) | — | |
| SCHEMBL5446883 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL21719661 | 0.71 | — | — | |
| SCHEMBL12656726 | 0.70 | — | — | |
| SCHEMBL27324914 | 0.69 | SIGMAR1 (0.38) | — | |
| SCHEMBL21719668 | 0.69 | HRH4 (0.31) | — |
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-2022002118-A1 | FUSED-RING HETEROCYCLE DERIVATIVE AND MEDICAL USE THEREOF | 四川海思科制药有限公司 | 2022-01-06 | — | — | WO | disclosed |