⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1866352 | 1.00 | — | — | |
| SCHEMBL3450595 | 1.00 | — | — | |
| SCHEMBL3489854 | 1.00 | — | — | |
| SCHEMBL31162531 | 1.00 | — | — | |
| SCHEMBL31162223 | 1.00 | — | — | |
| SCHEMBL2184024 | 0.85 | TFPI2 (0.52) | — | |
| SCHEMBL4098788 | 0.85 | TFPI2 (0.52) | — | |
| SCHEMBL2726787 | 0.85 | TFPI2 (0.52) | — | |
| SCHEMBL4948347 | 0.85 | TFPI2 (0.52) | — | |
| SCHEMBL7263479 | 0.85 | TFPI2 (0.52) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3901156-A1 | NITROOXYDERIVATIVE OF ROCK KINASE INHIBITOR | Vivavision (Shanghai) Ltd (CN) | 2021-10-27 | — | — | EP | disclosed |
| US-10689408-B2 | Bisphosphonic acid compound | FUJIYAKUHIN CO., LTD. (JP) | 2020-06-23 | — | — | US | disclosed |
| US-20190002482-A1 | NOVEL BISPHOSPHONIC ACID COMPOUND | FUJIYAKUHIN CO., LTD. (JP) | 2019-01-03 | — | — | US | disclosed |
| EP-3409679-A1 | NOVEL BISPHOSPHONIC ACID COMPOUND | Fuji Yakuhin Co., Ltd. (JP) | 2018-12-05 | — | — | EP | disclosed |
| EP-2369924-B1 | NITROOXY CYCLOALKANE DERIVATIVES | MERCK SHARP & DOHME (US) | 2014-11-26 | — | — | EP | disclosed |
| EP-2326652-B1 | NITRO DERIVATIVES OF FURASEMIDE AND THEIR USE AS DIURETICS | MERCK SHARP & DOHME (US) | 2014-04-16 | — | — | EP | disclosed |
| US-8530521-B2 | Nitrooxy cycloalkane derivatives | MERCK SHARP & DOHME CORP. (US) | 2013-09-10 | — | — | US | disclosed |
| US-8293777-B2 | Angiotensin II receptor antagonists | MERCK SHARP & DOHME, CORP. (US) | 2012-10-23 | — | — | US | disclosed |
| US-20100144810-A1 | ANGIOTENSIN II RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME CORP. | 2010-06-10 | — | — | US | disclosed |
| US-20100029678-A1 | DIURETICS | MERCK SHARP & DOHME CORP. | 2010-02-04 | — | — | US | disclosed |