⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8183334 | 0.70 | — | — | |
| SCHEMBL14865295 | 0.70 | — | — | |
| SCHEMBL8537968 | 0.70 | — | — | |
| SCHEMBL9373395 | 0.70 | — | — | |
| SCHEMBL3925271 | 0.70 | — | — | |
| SCHEMBL6929009 | 0.65 | — | — | |
| SCHEMBL3176447 | 0.65 | AKR1B1 (0.50) | — | |
| SCHEMBL3751899 | 0.64 | CYP1A2 (0.59) | — | |
| SCHEMBL11330719 | 0.64 | KMT2A (0.56) | — | |
| Hydrochloric Acid SCHEMBL11330726 | 0.64 | KMT2A (0.56) | — |
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-0371312-B1 | Benzoxazine 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-5036068-A | Cardiovascular disorders | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-07-30 | — | — | 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-0371312-A1 | Benzoxazine derivatives | MERCK PATENT GmbH (DE) | 1990-06-06 | — | — | EP | disclosed |