⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL936893 | 0.73 | — | — | |
| SCHEMBL1230988 | 0.73 | — | — | |
| SCHEMBL15730076 | 0.73 | — | — | |
| SCHEMBL16478125 | 0.73 | — | — | |
| SCHEMBL9593037 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL31305742 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL14086049 | 0.70 | KDM4E (0.44) | — | |
| SCHEMBL8545045 | 0.70 | BRD4 (0.42) | — | |
| SCHEMBL31728945 | 0.69 | ALDH1A1 (0.51) | — | |
| SCHEMBL31728834 | 0.67 | SMN1; SMN2 (0.45) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5719155-A | CARDIOVASCULAR DISORDERS | JAPAN TOBACCO INC. (JP) | 1998-02-17 | — | — | US | disclosed |
| EP-0677519-A1 | CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF | Japan Tobacco Inc. (JP) | 1995-10-18 | — | — | EP | disclosed |
| EP-0340718-B1 | Chroman derivatives | MERCK PATENT GMBH (DE) | 1994-07-20 | — | — | EP | disclosed |
| EP-0410208-B1 | Chroman derivatives | MERCK PATENT GMBH (DE) | 1994-06-22 | — | — | EP | disclosed |
| US-5143924-A | OXODIHYDROPYRIDYL CHROMAN DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-09-01 | — | — | US | disclosed |
| US-5130322-A | CHROMAN DERIVATIVES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1992-07-14 | — | — | US | disclosed |
| US-5013853-A | Chroman derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-05-07 | — | — | US | disclosed |
| EP-0415065-A1 | Chroman derivatives | MERCK PATENT GmbH (DE) | 1991-03-06 | — | — | EP | disclosed |
| EP-0410208-A1 | Chroman derivatives | MERCK PATENT GmbH (DE) | 1991-01-30 | — | — | EP | disclosed |
| EP-0340718-A1 | Chroman derivatives | MERCK PATENT GmbH (DE) | 1989-11-08 | — | — | EP | disclosed |