⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL83633 | 0.96 | — | — | |
| Thiourea SCHEMBL10336650 | 0.92 | — | — | |
| Water SCHEMBL6988839 | 0.92 | ALDH1A1 (0.47) | — | |
| Water SCHEMBL6988845 | 0.92 | — | — | |
| SCHEMBL7175552 | 0.92 | — | — | |
| Iodide SCHEMBL28542335 | 0.92 | — | — | |
| SCHEMBL7718565 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL28307197 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL28299891 | 0.88 | — | — | |
| Benzene SCHEMBL27884641 | 0.85 | ALDH1A1 (0.43) | — |
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-108707141-A | The preparation method of avanaphil | 苏州中联化学制药有限公司 | 2018-10-26 | — | — | CN | claimed |