⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13186512 | 1.00 | — | — | |
| SCHEMBL316267 | 1.00 | — | — | |
| SCHEMBL2483160 | 0.86 | — | — | |
| SCHEMBL7620666 | 0.86 | — | — | |
| Tert-Butyl Formate SCHEMBL27710947 | 0.80 | TDP1 (0.42) | — | |
| SCHEMBL4467181 | 0.78 | CRBN (0.37) | — | |
| SCHEMBL2042295 | 0.78 | — | — | |
| SCHEMBL14827803 | 0.78 | — | — | |
| SCHEMBL25324431 | 0.77 | USP2 (0.32) | — | |
| SCHEMBL10726202 | 0.75 | OR51E2 (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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010103334-A1 | COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS | PROSIDION LIMITED (GB) | 2010-09-16 | — | — | WO | disclosed |
| US-6448286-B1 | PREFERENTIALLY INHIBITS OR MODULATES INDUCIBLE OVER CONSTITUTIVE ISOFORM OF NITRIC OXIDE SYNTHASE; SIDE EFFECT REDUCTION | G.D. SEARLE & CO. | 2002-09-10 | — | — | US | disclosed |
| US-6071906-A | INHIBITS OR MODULATES THE INDUCIBLE ISOFORM OF NITRIC OXIDE SYNTHASE OVER THE THE CONSTITUTIVE ISOFORMS; ANTIARTHRITIC, -DIABETIC, ISCHEMIC, THROMBOSIS AGENTS; CARDIOVASCULAR DISORDERS; TOXIC SHOCK SYNDROME; AUTOIMMUNE DISEASES | G. D. SEARLE & CO. (US) | 2000-06-06 | — | — | US | disclosed |
| US-6046211-A | TREATMENT OF ARTHRITIS OR INFLAMMATORY BOWEL DISEASE, CARDIOVASCULAR ISCHEMIA, DIABETES, HYPERALGESIA (ALLODYNIA), CEREBRAL ISCHEMIA AND OTHER CNS DISORDERS | G.D. SEARLE & CO. (US) | 2000-04-04 | — | — | US | disclosed |
| EP-0789571-A4 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO INC (US) | 1999-04-14 | — | — | EP | disclosed |
| EP-0724570-B1 | AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | SEARLE & CO (US) | 1999-03-03 | — | — | EP | disclosed |
| EP-0897912-A1 | Amidino derivatives useful as nitric oxide synthase inhibitors | G.D. SEARLE & CO. (US) | 1999-02-24 | — | — | EP | disclosed |
| US-5854234-A | Amidino dervatives useful as nitric oxide synthase inhibitors | G. D. SEARLE & CO. (US) | 1998-12-29 | — | — | US | disclosed |
| EP-0789571-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | Merck & Co., Inc. (US) | 1997-08-20 | — | — | EP | disclosed |
| US-5629322-A | TREATMENT OF NEURODEGENERATIVE DISORDERS, DISORDERS OF GASTROINTESTINAL MOTILITY AND INFLAMMATION | MERCK & CO., INC. (US) | 1997-05-13 | — | — | US | disclosed |
| EP-0724570-A1 | AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-08-07 | — | — | EP | disclosed |
| WO-1996014844-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-05-23 | — | — | WO | disclosed |
| WO-1995011231-A1 | AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G. D. SEARLE & CO. (US) | 1995-04-27 | — | — | WO | disclosed |