⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30910409 | 0.69 | — | — | |
| Bicarbonate SCHEMBL11675233 | 0.49 | CA1 (0.83) | — | |
| Bicarbonate SCHEMBL991795 | 0.49 | — | — | |
| Bicarbonate SCHEMBL10832174 | 0.49 | CA1 (0.83) | — | |
| SCHEMBL22382 | 0.49 | ALDH1A1 (0.55) | — | |
| SCHEMBL838160 | 0.49 | — | — | |
| SCHEMBL9635649 | 0.48 | CA1 (0.40) | — | |
| Mellitic Acid SCHEMBL22971 | 0.48 | CYP1A2 (0.50) | — | |
| SCHEMBL22228500 | 0.48 | — | — | |
| Mellitic Acid SCHEMBL23507 | 0.48 | CYP1A2 (0.50) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5786367-A | OXYGEN SCAVENGERS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-07-28 | — | — | US | disclosed |
| CN-1130377-A | Cyclic amide derivatives | OTSUKA PHARMA CO LTD (JP) | 1996-09-04 | — | — | CN | disclosed |
| EP-0719258-A1 | CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-07-03 | — | — | EP | disclosed |
| WO-1996002508-A1 | CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-02-01 | — | — | WO | disclosed |