⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4617751 | 0.86 | — | — | |
| SCHEMBL9777713 | 0.83 | — | — | |
| SCHEMBL105390 | 0.81 | — | — | |
| SCHEMBL5407815 | 0.77 | — | — | |
| SCHEMBL27343568 | 0.75 | — | — | |
| SCHEMBL9921701 | 0.75 | TSHR (0.60) | — | |
| SCHEMBL28813789 | 0.74 | TSHR (0.59) | — | |
| SCHEMBL28282352 | 0.74 | TSHR (0.52) | — | |
| Hydrochloric Acid SCHEMBL11907969 | 0.73 | — | — | |
| Bromomethane SCHEMBL223765 | 0.72 | TSHR (0.50) | — |
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 19 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7767803-B2 | Stabilized aptamers to PSMA and their use as prostate cancer therapeutics | ARCHEMIX CORP. (US) | 2010-08-03 | — | — | US | disclosed |
| US-20090105172-A1 | Stabilized Aptamers to PSMA and Their Use as Prostate Cancer Therapeutics | ARCHEMIX CORP. | 2009-04-23 | — | — | US | disclosed |
| US-20070041901-A1 | Stabilized aptamers to PSMA and their use as prostate cancer therapeutics | ARCHEMIX CORP. | 2007-02-22 | — | — | US | disclosed |
| 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 |
| EP-0851862-B1 | 1(HETERO)ARYL-4-(CONDENSED THIAZOL-2-YLALKYL)-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF 5-HT1A-RECEPTOR MEDIATED DISORDERS | PHARMACIA ITALIA SPA (IT) | 2003-09-10 | — | — | EP | 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 |
| EP-0851862-A1 | 1(HETERO)ARYL-4-(CONDENSED THIAZOL-2-YLALKYL)-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF 5-HT1A-RECEPTOR MEDIATED DISORDERS | Pharmacia Italia S.p.A. (IT) | 1998-07-08 | — | — | EP | disclosed |
| WO-1997008159-A1 | 1(HETERO)ARYL-4-(CONDENSED THIAZOL-2-YLALKYL)-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF 5-HT1A-RECEPTOR MEDIATED DISORDERS | PHARMACIA & UPJOHN S.P.A. (IT) | 1997-03-06 | — | — | WO | disclosed |
| US-5430059-A | Treating heart disease | EISAI CO., LTD. (JP) | 1995-07-04 | — | — | US | disclosed |
| EP-0399358-B1 | Butenoic acid derivatives | EISAI CO LTD (JP) | 1995-03-08 | — | — | EP | disclosed |
| EP-0633248-A1 | Butenoic acid derivatives | Eisai Co., Ltd. (JP) | 1995-01-11 | — | — | EP | disclosed |
| EP-0589491-A1 | Butenoic acid derivatives | Eisai Co., Ltd. (JP) | 1994-03-30 | — | — | EP | disclosed |
| US-5292770-A | Butenoic acid derivatives | EISAI CO., LTD. (JP) | 1994-03-08 | — | — | US | disclosed |
| US-5166188-A | Cardiovascular disorders, antiischemic agents | EISAI CO., LTD. (JP) | 1992-11-24 | — | — | US | disclosed |