⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3420771 | 0.97 | — | — | |
| SCHEMBL27838086 | 0.97 | DNM1 (0.47) | — | |
| SCHEMBL3423503 | 0.97 | DNM1 (0.47) | — | |
| SCHEMBL27281324 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL27281328 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL27286204 | 0.88 | — | — | |
| SCHEMBL6283581 | 0.79 | — | — | |
| SCHEMBL30818488 | 0.78 | — | — | |
| SCHEMBL11538120 | 0.77 | GSR (0.41) | — | |
| SCHEMBL19743523 | 0.76 | — | — |
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-110678442-A | Novel aniline compound | PI工业有限公司 | 2020-01-10 | — | — | CN | disclosed |