⚠ 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 SCHEMBL720506 | 0.97 | FAAH (0.42) | — | |
| SCHEMBL2677609 | 0.84 | ALDH1A1 (0.54) | — | |
| SCHEMBL1769597 | 0.83 | — | — | |
| SCHEMBL30557816 | 0.80 | FAAH (0.42) | — | |
| SCHEMBL20910881 | 0.79 | AKR1C3 (0.52) | — | |
| SCHEMBL9079929 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL145307 | 0.77 | — | — | |
| SCHEMBL28468317 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL16904 | 0.77 | ALDH1A1 (0.42) | — | |
| SCHEMBL1832720 | 0.77 | — | — |
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 255 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8183380-B2 | 2-aminoquinolines | HOFFMANN-LA ROCHE INC. (US) | 2012-05-22 | — | — | US | claimed |
| EP-1513814-B1 | NOVEL PIPERIDINE COMPOUND | MITSUBISHI TANABE PHARMA CORP (JP) | 2010-03-17 | — | — | EP | claimed |
| US-7626040-B2 | Substituted imidazole compounds as KSP inhibitors | NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) | 2009-12-01 | — | — | US | claimed |
| US-7619092-B2 | Piperidine compounds | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2009-11-17 | — | — | US | claimed |
| US-20090227570-A1 | 2-AMINOQUINOLINES | HOFFMANN-LA ROCHE, INC. | 2009-09-10 | — | — | US | claimed |
| EP-1456196-B1 | BENZOTHIOPHENES AS ADENOSINE RECEPTOR MODULATORS | HOFFMANN LA ROCHE (CH) | 2009-01-07 | — | — | EP | claimed |
| CN-101253167-A | Substituted imidazole compounds as KSP inhibitors | NOVARTIS VACCINES & DIAGNOSTIC (CH) | 2008-08-27 | — | — | CN | claimed |
| EP-1912972-A1 | SUBSTITUTED IMIDAZOLE COMPOUNDS AS KSP INHIBITORS | Novartis AG (CH) | 2008-04-23 | — | — | EP | claimed |
| EP-1838300-A2 | 2-(2 OR 4-SUBSTITUTED ARYLOXY)-PHENOL DERIVATIVES AS ANTIBACTERIAL AGENTS | Emergent Product Development Gaithersburg Inc. (US) | 2007-10-03 | — | — | EP | claimed |
| EP-1797878-A2 | Benzothiazole derivatives | F. Hoffmann-La Roche AG (CH) | 2007-06-20 | — | — | EP | claimed |
| US-20020045615-A1 | Benzothiazole derivatives with activity as adenosine receptor ligands | F.HOFFMANN-LA ROCHE AG (CH) | 2002-04-18 | — | — | US | claimed |
| WO-2001097786-A2 | BENZOTHIAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2001-12-27 | — | — | WO | claimed |
| US-6323195-B1 | ENZYME INHIBITORS AND COGNITION ACTIVATORS | AVENTIS PHARMACEUTICALS INC. | 2001-11-27 | — | — | US | claimed |
| EP-1020470-A2 | Galanthamine derivatives, a process for their preparation and their use as medicaments | SYNAPTECH, INC. (US) | 2000-07-19 | — | — | EP | claimed |
| US-5753652-A | Antiretroviral hydrazine derivatives | NOVARTIS CORPORATION (US) | 1998-05-19 | — | — | US | claimed |
| EP-0483667-B1 | Cyclic imino derivatives, process for their preparation and drugs containing them | THOMAE GMBH DR K (DE) | 1998-02-04 | — | — | EP | claimed |
| EP-0604368-B1 | Anti retroviral hydrazine derivatives | CIBA GEIGY AG (CH) | 1996-09-18 | — | — | EP | claimed |
| EP-0719552-A2 | Pharmaceutical composition comprising a quinone derivative or a hydroquinone thereof for treating dermatitis | Takeda Chemical Industries, Ltd. (JP) | 1996-07-03 | — | — | EP | claimed |
| EP-0653427-A1 | Galanthamine derivatives, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1995-05-17 | — | — | EP | claimed |
| EP-0604368-A1 | Anti retroviral hydrazine derivatives | CIBA-GEIGY AG (CH) | 1994-06-29 | — | — | EP | claimed |