⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL160602 | 0.82 | BTK (0.47) | — | |
| SCHEMBL3155981 | 0.75 | BTK (0.61) | — | |
| SCHEMBL128705 | 0.73 | — | — | |
| SCHEMBL29427033 | 0.73 | — | — | |
| SCHEMBL29687348 | 0.73 | — | — | |
| SCHEMBL6964 | 0.73 | — | — | |
| SCHEMBL16378475 | 0.73 | BTK (0.42) | — | |
| SCHEMBL4631208 | 0.71 | — | — | |
| SCHEMBL1763356 | 0.71 | — | — | |
| SCHEMBL8349989 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1702919-B1 | NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE | MSD KK (JP) | 2012-05-30 | — | — | EP | disclosed |
| US-8119563-B2 | N-substituted azacycles | FMC CORPORATION (US) | 2012-02-21 | — | — | US | disclosed |
| US-7728025-B2 | 2-heteroaryl-substituted benzimidazole derivative | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2010-06-01 | — | — | US | disclosed |
| US-20090306376-A1 | OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME | MITSUI CHEMICALS, INC. (JP) | 2009-12-10 | — | — | US | disclosed |
| US-20090215821-A1 | N-Substituted Azacycles | FMC CORPORATION | 2009-08-27 | — | — | US | disclosed |
| EP-1673083-A4 | N-SUBSTITUTED AZACYCLES | BAYER CROPSCIENCE AG (DE) | 2008-12-17 | — | — | EP | disclosed |
| US-20080070928-A1 | Novel 2-Heteroaryl-Substituted Benzimidazole Derivative | MSD K.K. (JP) | 2008-03-20 | — | — | US | disclosed |
| US-20070054084-A1 | Optical recording medium and compound used for the same | MITSUI CHEMICALS, INC. (JP) | 2007-03-08 | — | — | US | disclosed |
| EP-1702919-A1 | NOVEL 2-HETEROARYL-SUBSTITUTED BENZIMIDAZOLE DERIVATIVE | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2006-09-20 | — | — | EP | disclosed |
| EP-1673083-A2 | N-SUBSTITUTED AZACYCLES | FMC CORPORATION (US) | 2006-06-28 | — | — | EP | disclosed |
| EP-1672626-A1 | OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM | Mitsui Chemicals, Inc. (JP) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005036961-A2 | N-SUBSTITUTED AZACYCLES | FMC CORPORATION (US) | 2005-04-28 | — | — | WO | disclosed |
| US-20030212116-A1 | Heterocyclic imino compounds and fungicides and insecticides for agricultural and horitcultural use | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2003-11-13 | — | — | US | disclosed |
| EP-1243580-A1 | HETEROCYCLIC IMINO COMPOUNDS AND FUNGICIDES AND INSECTICIDES FOR AGRICULTURAL AND HORTICULTURAL USE | Nissan Chemical Industries, Ltd. (JP) | 2002-09-25 | — | — | EP | disclosed |
| EP-0371312-B1 | Benzoxazine derivatives | MERCK PATENT GMBH (DE) | 1994-07-20 | — | — | EP | disclosed |
| US-5036068-A | Cardiovascular disorders | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1991-07-30 | — | — | US | disclosed |
| EP-0433451-A1 | OXIME DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS AN ACTIVE INGREDIENT | TEIJIN LIMITED (JP) | 1991-06-26 | — | — | EP | disclosed |
| EP-0371312-A1 | Benzoxazine derivatives | MERCK PATENT GmbH (DE) | 1990-06-06 | — | — | EP | disclosed |
| WO-1990001874-A1 | OXIME DERIVATIVES AND HERBICIDES CONTAINING THE SAME AS AN ACTIVE INGREDIENT | TEIJIN LIMITED (JP) | 1990-03-08 | — | — | WO | disclosed |