⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9820753 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL9870486 | 0.83 | CYP1A2 (0.35) | — | |
| Hydrochloric Acid SCHEMBL9820743 | 0.77 | — | — | |
| SCHEMBL9820852 | 0.76 | L3MBTL3 (0.32) | — | |
| SCHEMBL9820734 | 0.75 | CYP1A2 (0.34) | — | |
| SCHEMBL9820704 | 0.73 | CYP1A2 (0.33) | — | |
| SCHEMBL9820749 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL9872263 | 0.72 | CYP1A2 (0.32) | — | |
| SCHEMBL9579287 | 0.71 | ADRA2A (0.37) | — | |
| Hydrochloric Acid SCHEMBL9820658 | 0.70 | OPRM1 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-63253055-A | — | — | None | — | — | JP | disclosed |
| US-5017724-A | Antihypoxic, CNS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-05-21 | — | — | US | disclosed |
| EP-0267024-B1 | HYDROFLUORENE DERIVATIVES | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-05-02 | — | — | EP | disclosed |
| JP-S63253055-A | HYDROFLUORENE DERIVATIVE | OTSUKA PHARMACEUT CO LTD | 1988-10-20 | — | — | JP | disclosed |
| EP-0267024-A2 | Hydrofluorene derivatives | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1988-05-11 | — | — | EP | disclosed |