⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6797133 | 0.92 | — | — | |
| SCHEMBL6797763 | 0.88 | POLB (0.32) | — | |
| SCHEMBL6795244 | 0.85 | NOS3 (0.34) | — | |
| SCHEMBL6793359 | 0.83 | — | — | |
| SCHEMBL6798426 | 0.83 | — | — | |
| SCHEMBL6803534 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL6906348 | 0.82 | — | — | |
| SCHEMBL6799506 | 0.82 | LMNA (0.32) | — | |
| SCHEMBL6796028 | 0.80 | — | — | |
| SCHEMBL6799414 | 0.80 | CYP1A2 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6489323-B1 | INHIBITING NO PRODUCTION FROM L-ARGININE, AS SEEN IN DISEASE STATES SUCH AS ARTHRITIS AND SYSTEMIC HYPOTENSION ASSOCIATED WITH SEPTIC AND/OR TOXIC SHOCK | G.D. SEARLE & CO. | 2002-12-03 | — | — | US | claimed |
| US-6774126-B2 | Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors | PHARMACIA CORPORATION | 2004-08-10 | — | — | US | disclosed |
| US-20040019019-A1 | Pyrrolo[1,2-b][1,2,4]oxadiazine diones useful as nitric oxide synthase inhibitors | PHARMACIA CORPORATION | 2004-01-29 | — | — | US | disclosed |
| US-6552052-B2 | (2S,3Z)-2-amino-5-(6,7,8,9-tetrahydro-3-oxo-3H,5H -(1,2,4)oxadiazolo(4,3-a)azepin-5-yl)-3-pentenoic acid, for example | MONSANTO/G.D. SEARLE | 2003-04-22 | — | — | US | disclosed |
| US-6489323-B1 | INHIBITING NO PRODUCTION FROM L-ARGININE, AS SEEN IN DISEASE STATES SUCH AS ARTHRITIS AND SYSTEMIC HYPOTENSION ASSOCIATED WITH SEPTIC AND/OR TOXIC SHOCK | G.D. SEARLE & CO. | 2002-12-03 | — | — | US | disclosed |
| US-20010044539-A1 | Heterobicyclic and tricyclic nitric oxide synthase inhibitors | HANSEN DONALD W (US) | 2001-11-22 | — | — | US | disclosed |
| EP-1086108-A1 | HETEROBICYCLIC AND TRICYCLIC NITRIC OXIDE SYNTHASE INHIBITORS | G.D. Searle & Co. (US) | 2001-03-28 | — | — | EP | disclosed |
| WO-1999064426-A1 | HETEROBICYCLIC AND TRICYCLIC NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1999-12-16 | — | — | WO | disclosed |