⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28589301 | 0.85 | HTR1A (0.49) | — | |
| SCHEMBL7913038 | 0.83 | — | — | |
| SCHEMBL656231 | 0.83 | — | — | |
| SCHEMBL7907786 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL4031659 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL4031655 | 0.82 | — | — | |
| SCHEMBL25954061 | 0.75 | ELANE (0.46) | — | |
| SCHEMBL164160 | 0.75 | ELANE (0.46) | — | |
| SCHEMBL31116812 | 0.74 | — | — | |
| SCHEMBL1990417 | 0.74 | — | — |
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-107253943-B | Photochromic compounds and compositions | 光学转变公司 | 2022-05-17 | — | — | CN | disclosed |