⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL103284 | 0.97 | — | — | |
| Water SCHEMBL27507117 | 0.93 | — | — | |
| Cyclohexane SCHEMBL27350422 | 0.88 | ALDH1A1 (0.33) | — | |
| SCHEMBL223119 | 0.87 | — | — | |
| SCHEMBL8660949 | 0.84 | CYP1A2 (0.44) | — | |
| SCHEMBL3679794 | 0.84 | — | — | |
| SCHEMBL8663867 | 0.84 | CYP1A2 (0.44) | — | |
| SCHEMBL16161159 | 0.84 | CYP1A2 (0.44) | — | |
| SCHEMBL8679600 | 0.84 | — | — | |
| SCHEMBL8130138 | 0.84 | CYP1A2 (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-105593217-B | Terazololine-one compound and application thereof | 住友化学株式会社 | 2018-05-25 | — | — | CN | disclosed |