⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4456152 | 0.71 | — | — | |
| SCHEMBL27944515 | 0.69 | — | — | |
| SCHEMBL12524569 | 0.67 | ALDH1A1 (0.41) | — | |
| SCHEMBL3303667 | 0.66 | — | — | |
| SCHEMBL15216191 | 0.66 | ALDH1A1 (0.36) | — | |
| SCHEMBL792826 | 0.66 | — | — | |
| SCHEMBL6883725 | 0.66 | ALDH1A1 (0.40) | — | |
| SCHEMBL425674 | 0.66 | — | — | |
| SCHEMBL13924899 | 0.64 | — | — | |
| SCHEMBL425211 | 0.64 | — | — |
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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3245206-A1 | PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES | F. Hoffmann-La Roche AG (CH) | 2017-11-22 | — | — | EP | claimed |
| WO-2017023487-A1 | PROCESSES FOR SYNTHESIZING METHOXY ALKYLETHER QUATERNARY AMMONIUM BROMIDES | ALBEMARLE CORPORATION (US) | 2017-02-09 | — | — | WO | claimed |
| WO-2016113273-A1 | PYRAZINE COMPOUNDS FOR THE TREATMENT OF INFECTIOUS DISEASES | F. HOFFMANN-LA ROCHE AG (CH) | 2016-07-21 | — | — | WO | claimed |
| EP-2776442-B1 | [1, 2, 3]TRIAZOLO [4, 5 -D]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 | HOFFMANN LA ROCHE (CH) | 2015-10-21 | — | — | EP | claimed |
| EP-2776442-A1 | [1, 2, 3]TRIAZOLO [4, 5 -D]PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 | F.HOFFMANN-LA ROCHE AG (CH) | 2014-09-17 | — | — | EP | claimed |
| WO-2013068306-A1 | [1, 2, 3] TRIAZOLO [4, 5 -D] PYRIMIDINE DERIVATIVES AS AGONISTS OF THE CANNABINOID RECEPTOR 2 | F. HOFFMANN-LA ROCHE AG (CH) | 2013-05-16 | — | — | WO | claimed |
| US-7576161-B2 | Process for preparing terminally functionalized living and quasiliving cationic telechelic polymers | CHEVRON ORONITE COMPANY LLC (US) | 2009-08-18 | — | — | US | claimed |
| US-20050282972-A1 | Process for preparing terminally functionalized living and quasiliving cationic telechelic polymers | STOKES CASEY D | 2005-12-22 | — | — | US | claimed |
| CN-116014240-A | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same | 三菱化学株式会社 | 2023-04-25 | — | — | CN | disclosed |
| CN-110233290-B | Nonaqueous electrolyte solution and nonaqueous electrolyte secondary battery using same | 三菱化学株式会社 | 2023-03-07 | — | — | CN | disclosed |
| US-11459318-B2 | Pesticidally active pyrrole derivatives | SYNGENTA PARTICIPATIONS AG (CH) | 2022-10-04 | — | — | US | disclosed |
| US-20200392124-A1 | Pesticidally Active Pyrrole Derivatives | SYNGENTA PATICIPATIONS AG (CH) | 2020-12-17 | — | — | US | disclosed |
| EP-3692031-A1 | PESTICIDALLY ACTIVE PYRROLE DERIVATIVES | Syngenta Participations AG (CH) | 2020-08-12 | — | — | EP | disclosed |
| WO-2019068819-A1 | PESTICIDALLY ACTIVE PYRROLE DERIVATIVES | SYNGENTA PARTICIPATIONS AG (CH) | 2019-04-11 | — | — | WO | disclosed |
| WO-1996023497-A1 | CYCLOPROPYLPYRROLOINDOLE-OLIGOPEPTIDE ANTICANCER AGENTS | SYNPHAR LABORATORIES, INC. (CA) | 1996-08-08 | — | — | WO | disclosed |
| US-5502068-A | ABILITY TO ALKYLATE DNA SEQUENCES | SYNPHAR LABORATORIES, INC. (CA) | 1996-03-26 | — | — | US | disclosed |
| EP-0318894-B1 | Titanocenes, their use and N-substituted pyrroles | CIBA GEIGY AG (CH) | 1994-02-16 | — | — | EP | disclosed |
| US-5106722-A | Photoiniators having cyclopentadieneyl or indenyl groups and fluorinated aryl or heterocyclic ring; photoresists of unsaturated compounds | CIBA-GEIGY CORPORATION (US) | 1992-04-21 | — | — | US | disclosed |
| US-5008302-A | Photoinitiators for radiation-induced polymerization of ethylenically unsaturated compounds | CIBA-GEIGY CORPORATION (US) | 1991-04-16 | — | — | US | disclosed |
| EP-0318894-A2 | Titanocenes, their use and N-substituted pyrroles | CIBA-GEIGY AG (CH) | 1989-06-07 | — | — | EP | disclosed |