⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25370 | 0.87 | — | — | |
| SCHEMBL8797678 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL2888164 | 0.84 | — | — | |
| SCHEMBL4811100 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL30135528 | 0.74 | — | — | |
| SCHEMBL14434351 | 0.71 | GABRP (0.42) | — | |
| SCHEMBL10292118 | 0.71 | GABRP (0.42) | — | |
| SCHEMBL3709913 | 0.70 | TSHR (0.54) | — | |
| SCHEMBL11723948 | 0.69 | CES2 (0.33) | — | |
| SCHEMBL22512 | 0.69 | — | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0821674-B1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 2003-08-06 | — | — | EP | disclosed |
| CN-1105706-C | Cyclic amidino formulations useful as nitric oxide synthase inhibitors | SEARLE & CO (US) | 2003-04-16 | — | — | CN | disclosed |
| CN-1305993-A | Cyclic guanyl preparation used as nitrogen oxide synthetic enzyme inhibitor | SEARLE & CO (US) | 2001-08-01 | — | — | CN | disclosed |
| US-6011028-A | Cyclic amidino agents useful as nitric oxide synthase inhibitors | G.D. SEARLE & CO. (US) | 2000-01-04 | — | — | US | disclosed |
| CN-1189823-A | Cyclic amidino formulations useful as nitric oxide synthase inhibitors | SEARLE & CO (US) | 1998-08-05 | — | — | CN | disclosed |
| EP-0821674-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1998-02-04 | — | — | EP | disclosed |
| WO-1996033175-A1 | CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-10-24 | — | — | WO | disclosed |
| US-4780478-A | Aminopropoxy-chromones useful as antidepressants | MERCK PATENT GESELLSCHAFT MIT BERSCHRANKTER HAFTUNG (DE) | 1988-10-25 | — | — | US | disclosed |
| US-4508732-A | Basic ethers useful as antidepressant agents | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1985-04-02 | — | — | US | disclosed |
| EP-0031885-B1 | BASIC ETHERS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESS FOR THEIR PREPARATION | MERCK PATENT GmbH (DE) | 1984-06-27 | — | — | EP | disclosed |
| US-4376123-A | Hexahydroazepinyloxy-chromones useful as antidepressants | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1983-03-08 | — | — | US | disclosed |
| EP-0031885-A1 | Basic ethers, pharmaceutical compositions containing them and process for their preparation | MERCK PATENT GmbH (DE) | 1981-07-15 | — | — | EP | disclosed |