⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9699790 | 0.85 | ALDH1A1 (0.30) | — | |
| SCHEMBL9700738 | 0.80 | HSD11B1 (0.34) | — | |
| SCHEMBL9700770 | 0.79 | NR2E1 (0.36) | — | |
| SCHEMBL9700774 | 0.78 | ALDH1A1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL9701801 | 0.78 | NR2E1 (0.35) | — | |
| SCHEMBL9700837 | 0.72 | PDE3B (0.43) | — | |
| SCHEMBL9701071 | 0.68 | HSD11B1 (0.34) | — | |
| SCHEMBL7321973 | 0.68 | CYP11B1 (0.42) | — | |
| SCHEMBL10680277 | 0.67 | PDE3B (0.41) | — | |
| SCHEMBL9699892 | 0.66 | CYP3A4 (0.35) | — |
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-5171851-A | Cardiac stimulant | DONG-A PHARM. CO., LTD. (KR) | 1992-12-15 | — | — | US | claimed |
| EP-0510235-A1 | Novel benzoxazine or benzothiazine derivatives and process for the preparation of the same | DONG-A PHARM. CO., LTD. (KR) | 1992-10-28 | — | — | EP | claimed |
| US-5171851-A | Cardiac stimulant | DONG-A PHARM. CO., LTD. (KR) | 1992-12-15 | — | — | US | disclosed |
| EP-0510235-A1 | Novel benzoxazine or benzothiazine derivatives and process for the preparation of the same | DONG-A PHARM. CO., LTD. (KR) | 1992-10-28 | — | — | EP | disclosed |