⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7683971 | 0.97 | — | — | |
| SCHEMBL13647330 | 0.76 | — | — | |
| SCHEMBL4454563 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL2923012 | 0.74 | — | — | |
| SCHEMBL24633958 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL20311415 | 0.72 | ALDH1A1 (0.35) | — | |
| SCHEMBL2206400 | 0.68 | — | — | |
| SCHEMBL85668 | 0.68 | — | — | |
| SCHEMBL19669018 | 0.68 | — | — | |
| SCHEMBL20408205 | 0.67 | GAA (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0824523-A1 | NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES | G.D. Searle & Co. (US) | 1998-02-25 | — | — | EP | claimed |
| WO-1996035677-A1 | NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES | G.D. SEARLE & CO. (US) | 1996-11-14 | — | — | WO | claimed |
| US-6372733-B1 | HEXAHYDRO-5-IMINO-3-ALKYL OR ISOALKYL-1,4-THIAZEPINE HYDROCHLORIDE OR ACETIC ACID SALTS; USEFUL FOR TREATING NEURODEGENERATIVE DISORDERS, GASTROINTESTINAL DISORDERS AND INFLAMMATION | MERCK & CO., INC. | 2002-04-16 | — | — | US | disclosed |
| US-6043358-A | FOR TREATING DISSORDERS SUCH AS NEURODEGENERATIVE DISORDERS, DISORDERS OF GASTROINTESTINAL MOTILITY AND INFLAMMATION, HYPOTENSION, SEPTIC SHOCK, TOXIC SHOCK SYNDROME, HEMODIALYSIS, AUTOIMMUNE AND/OR INFLAMMATORY CONDITIONS SUCH AS SUNBURN | MERCK & CO., INC. (US) | 2000-03-28 | — | — | US | disclosed |
| EP-0861238-A4 | HEXAHYDRO-5-IMINO-1,4-HETEROAZEPINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASES | MERCK & CO INC (US) | 2000-03-01 | — | — | EP | disclosed |
| EP-0861238-A1 | HEXAHYDRO-5-IMINO-1,4-HETEROAZEPINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASES | Merck & Co., Inc. (US) | 1998-09-02 | — | — | EP | disclosed |
| WO-1997016430-A1 | HEXAHYDRO-5-IMINO-1,4-HETEROAZEPINE DERIVATIVES AS INHIBITORS OF NITRIC OXIDE SYNTHASES | MERCK & CO., INC. (US) | 1997-05-09 | — | — | WO | disclosed |
| WO-1996035677-A1 | NITRIC OXIDE SYNTHASE INHIBITORS DERIVED FROM CYCLIC AMIDINES | G.D. SEARLE & CO. (US) | 1996-11-14 | — | — | WO | disclosed |