⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25275677 | 0.97 | ALDH1A1 (0.56) | — | |
| SCHEMBL9321036 | 0.97 | ALDH1A1 (0.56) | — | |
| SCHEMBL9322072 | 0.97 | ALDH1A1 (0.56) | — | |
| Hydrochloric Acid SCHEMBL8058609 | 0.97 | — | — | |
| SCHEMBL1076685 | 0.97 | — | — | |
| SCHEMBL17550102 | 0.91 | — | — | |
| SCHEMBL719096 | 0.84 | ALDH1A1 (0.67) | — | |
| SCHEMBL16341166 | 0.81 | ALDH1A1 (0.72) | — | |
| SCHEMBL715302 | 0.81 | ALDH1A1 (0.72) | — | |
| SCHEMBL16341718 | 0.81 | ALDH1A1 (0.72) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040005676-A1 | Biocatalytic reduction of nitro groups | DIVERSA CORPORATION | 2004-01-08 | — | — | US | claimed |
| WO-2003062399-A2 | BIOCATALYTIC REDUCTION OF NITRO GROUPS | DIVERSA CORPORATION (US) | 2003-07-31 | — | — | WO | claimed |
| US-20040005676-A1 | Biocatalytic reduction of nitro groups | DIVERSA CORPORATION | 2004-01-08 | — | — | US | disclosed |
| WO-2003062399-A2 | BIOCATALYTIC REDUCTION OF NITRO GROUPS | DIVERSA CORPORATION (US) | 2003-07-31 | — | — | WO | disclosed |
| US-6576780-B1 | Hydroxyamidino derivatives useful as nitric oxide synthase inhibitors | GD SEARLE & COMPANY | 2003-06-10 | — | — | US | disclosed |
| CN-1079679-C | Cascade polymer complexes, method for the production thereof and pharmaceutical agents containing said complexes | SCHERING AG (DE) | 2002-02-27 | — | — | CN | disclosed |
| US-6207708-B1 | FOR THERAPY AND PROPHYLAXIS OF AUTOIMMUNE AND/OR INFLAMMATORY CONDITIONS AFFECTING THE JOINTS SUCH AS ARTHRITIS, AND INFLAMMATORY BOWEL DISEASE, CARDIVASCULAR ISCHEMIA, DIABETES, CONGESTIVE HEART FAILURE, MYOCARDITIS, ATHEROSCLEROSIS, | G. D. SEARLE & COMPANY | 2001-03-27 | — | — | US | disclosed |
| CN-1189779-A | Cascade polymer complexes, method for the production thereof and pharmaceutical agents containing said complexes | SCHERING AG (DE) | 1998-08-05 | — | — | CN | disclosed |
| EP-0504064-B1 | Novel thrombin inhibitors | MERRELL PHARMA INC (US) | 1998-05-13 | — | — | EP | disclosed |
| CN-1151701-A | Concatemer-polymer complexes, process for their preparation and pharmaceutical agents containing them | SCHERING AG (DE) | 1997-06-11 | — | — | CN | disclosed |
| US-5563156-A | ANTICOAGULANTS, ANTIASTHMA AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1996-10-08 | — | — | US | disclosed |
| US-5498779-A | ANTICOAGULANTS AND TREATMENT OF ASTHMA | MERRELL PHARMACEUTICALS INC. (US) | 1996-03-12 | — | — | US | disclosed |
| US-5391705-A | Anticoagulants, treats thrombophlebitis, coronary thrombosis and asthma | MERRELL DOW PHARMACEUTICALS INC. (US) | 1995-02-21 | — | — | US | disclosed |
| EP-0387106-B1 | Novel diamine compounds, production of the same and polyamideimide resins produced therefrom | TOMOEGAWA PAPER CO LTD (JP) | 1994-02-02 | — | — | EP | disclosed |
| EP-0504064-A1 | Novel thrombin inhibitors | MERRELL PHARMACEUTICALS INC. (US) | 1992-09-16 | — | — | EP | disclosed |
| US-5019642-A | Novel diamine compounds, production of the same and polyamideimide resins produced therefrom | TOMOEGAWA PAPER CO., LTD. (JP) | 1991-05-28 | — | — | US | disclosed |
| EP-0387106-A1 | Novel diamine compounds, production of the same and polyamideimide resins produced therefrom | TOMOEGAWA PAPER CO. LTD. (JP) | 1990-09-12 | — | — | EP | disclosed |