⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL217417 | 0.80 | — | — | |
| SCHEMBL919848 | 0.79 | — | — | |
| SCHEMBL1404275 | 0.77 | CHRM2 (0.46) | — | |
| SCHEMBL8146532 | 0.77 | ALDH1A1 (0.54) | — | |
| SCHEMBL920244 | 0.75 | — | — | |
| SCHEMBL315507 | 0.74 | — | — | |
| SCHEMBL922201 | 0.74 | ALDH1A1 (0.56) | — | |
| SCHEMBL538112 | 0.72 | — | — | |
| SCHEMBL10987832 | 0.72 | — | — | |
| SCHEMBL7187608 | 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 239 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2394990-A1 | INDOLINE DERIVATIVES | Kyoto University (JP) | 2011-12-14 | — | — | EP | claimed |
| US-20110294850-A1 | INDOLINE DERIVATIVES | TOKYO INSTITUTE OF TECHNOLOGY (JP) | 2011-12-01 | — | — | US | claimed |
| US-7923185-B2 | Pyrazine containing charge transport layer photoconductors | XEROX CORPORATION (US) | 2011-04-12 | — | — | US | claimed |
| US-20090274968-A1 | PYRAZINE CONTAINING CHARGE TRANSPORT LAYER PHOTOCONDUCTORS | XEROX CORPORATION (US) | 2009-11-05 | — | — | US | claimed |
| EP-1379240-A4 | COMPOUNDS AND METHODS | SMITHKLINE BEECHAM CORP (US) | 2009-04-08 | — | — | EP | claimed |
| WO-2008112674-A1 | COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY | IRM LLC (BM) | 2008-09-18 | — | — | WO | claimed |
| EP-1603928-B1 | PYRIDINIUM-BETAIN COMPOUNDS AND THEIR USE | NESTEC SA (CH) | 2007-08-01 | — | — | EP | claimed |
| US-7220770-B2 | Heterocyclo-substituted imidazoles for the treatment of inflammation | KHANNA ISH K | 2007-05-22 | — | — | US | claimed |
| US-20060204629-A1 | Pyridinium-betain compounds and their use | NESTEC S.A. (CH) | 2006-09-14 | — | — | US | claimed |
| EP-1603928-A1 | PYRIDINIUM-BETAIN COMPOUNDS AND THEIR USE | NESTEC S.A. (CH) | 2005-12-14 | — | — | EP | claimed |
| US-5244865-A | Herbicides | BAYER AKTIENGESELLSCHAFT (DE) | 1993-09-14 | — | — | US | claimed |
| EP-0459702-A1 | Azole Derivatives | ZENECA LIMITED (GB) | 1991-12-04 | — | — | EP | claimed |
| EP-0414153-A1 | N-(substituted benzyloxy)imine derivatives, process for the production thereof, use thereof, and method of use thereof | NIHON NOHYAKU CO., LTD. (JP) | 1991-02-27 | — | — | EP | claimed |
| US-4740601-A | Imidazole derivatives having antimicrobial activities | SS PHARMACEUTICAL CO., LTD. (JP) | 1988-04-26 | — | — | US | claimed |
| EP-0227011-A2 | Imidazole derivatives | SS PHARMACEUTICAL CO., LTD. (JP) | 1987-07-01 | — | — | EP | claimed |
| US-4518596-A | Antithrombotic use of 2-(perhydro-1,4-diazino)-pyrimido (5,4,D)-pyrimidines | DR. KARL THOMAE GMBH (DE) | 1985-05-21 | — | — | US | claimed |
| EP-0055444-B1 | TRISUBSTITUTED PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1985-03-20 | — | — | EP | claimed |
| EP-0023559-B1 | 2-(PERHYDRO-1,4-DIAZINO)-PYRIMIDO(5,4-D)PYRIMIDINES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM | Dr. Karl Thomae GmbH (DE) | 1984-09-19 | — | — | EP | claimed |
| EP-0055444-A2 | Trisubstituted pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1982-07-07 | — | — | EP | claimed |
| EP-0023559-A1 | 2-(Perhydro-1,4-diazino)-pyrimido(5,4-d)pyrimidines, their preparation and medicaments containing them | Dr. Karl Thomae GmbH (DE) | 1981-02-11 | — | — | EP | claimed |