⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6578001 | 0.80 | — | — | |
| SCHEMBL2099384 | 0.78 | — | — | |
| SCHEMBL7354141 | 0.77 | USP2 (0.46) | — | |
| SCHEMBL900920 | 0.74 | — | — | |
| SCHEMBL1118711 | 0.74 | USP2 (0.43) | — | |
| SCHEMBL10644031 | 0.74 | KDM4E (0.39) | — | |
| SCHEMBL3569836 | 0.72 | — | — | |
| SCHEMBL9643006 | 0.72 | — | — | |
| SCHEMBL3569833 | 0.72 | — | — | |
| SCHEMBL3441325 | 0.70 | TSHR (0.43) | — |
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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0033088-B1 | ANTIMYCOTIC AGENTS | BAYER AG (DE) | 1983-05-25 | — | — | EP | claimed |
| EP-0033088-A2 | Antimycotic agents | BAYER AG (DE) | 1981-08-05 | — | — | EP | claimed |
| US-5985869-A | USEFUL AS VASODILATORS, HYPOTENSIVE AGENTS, WATER DIURETICS, PLATELET AGGLUTINATION INHIBITORS | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1999-11-16 | — | — | US | disclosed |
| WO-1998046593-A1 | NOVEL CARBOSTYRIL DERIVATIVE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-10-22 | — | — | WO | disclosed |
| US-5753677-A | Benzoheterocyclic compounds | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-05-19 | — | — | US | disclosed |
| US-5559230-A | VASOPRESSIN ANTAGONISTS, QUINOLINES, BENZAZEPINES, VASODILATION, HYPOTENSIVE AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1996-09-24 | — | — | US | disclosed |
| EP-0450097-B1 | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMA CO LTD (JP) | 1996-04-24 | — | — | EP | disclosed |
| EP-0602209-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-06-22 | — | — | EP | disclosed |
| WO-1994001113-A1 | OXYTOCIN ANTAGONIST | OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) | 1994-01-20 | — | — | WO | disclosed |
| EP-0450097-A1 | BENZOHETEROCYCLIC COMPOUNDS. | OTSUKA PHARMA CO LTD (JP) | 1991-10-09 | — | — | EP | disclosed |
| WO-1991005549-A1 | BENZOHETEROCYCLIC COMPOUNDS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1991-05-02 | — | — | WO | disclosed |
| EP-0007506-B1 | DERIVATIVES OF ALPHA-AZOLYL KETONES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BAYER AG (DE) | 1981-11-18 | — | — | EP | disclosed |
| EP-0007505-B1 | ALPHA-AZOLYL-BETA-HYDROXY-KETONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS FUNGICIDES | BAYER AG (DE) | 1981-09-30 | — | — | EP | disclosed |
| US-4291047-A | Combating fungi with α-azolyl-β-hydroxy-ketones | BAYER AKTIENGESELLSCHAFT (DE) | 1981-09-22 | — | — | US | disclosed |
| EP-0033087-A2 | Triazolyl-alkandiole derivatives, process for their preparation and their use as fungicides | BAYER AG (DE) | 1981-08-05 | — | — | EP | disclosed |
| EP-0033088-A2 | Antimycotic agents | BAYER AG (DE) | 1981-08-05 | — | — | EP | disclosed |
| EP-0033088-A2 | Antimycotic agents | BAYER AG (DE) | 1981-08-05 | — | — | EP | disclosed |
| EP-0015387-A2 | 1-Vinyltriazole derivatives, process for their preparation and their use as growth regulating agents and fungicides | BAYER AG (DE) | 1980-09-17 | — | — | EP | disclosed |
| EP-0007505-A2 | Alpha-azolyl-beta-hydroxy-ketones, process for their preparation and their use as fungicides | BAYER AG (DE) | 1980-02-06 | — | — | EP | disclosed |
| EP-0007506-A1 | Derivatives of alpha-azolyl ketones, processes for their preparation and their use as fungicides | BAYER AG (DE) | 1980-02-06 | — | — | EP | disclosed |