⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2182590 | 0.93 | — | — | |
| SCHEMBL3820883 | 0.89 | HRH4 (0.32) | — | |
| SCHEMBL2184287 | 0.76 | — | — | |
| SCHEMBL2346417 | 0.74 | TAAR1 (0.42) | — | |
| SCHEMBL28251905 | 0.69 | KDM4E (0.35) | — | |
| SCHEMBL17831818 | 0.68 | ALDH1A1 (0.46) | — | |
| SCHEMBL24537399 | 0.67 | KDM4E (0.47) | — | |
| SCHEMBL17704661 | 0.67 | ACHE (0.38) | — | |
| SCHEMBL3787276 | 0.67 | TAAR1 (0.38) | — | |
| SCHEMBL26191606 | 0.67 | ACHE (0.38) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3386952-A1 | SUBSTITUTED BENZIMIDAZOLIUM, PYRIDO-IMIDAZOLIUM, OR PYRAZINO-IMIDAZOLIUM COMPOUNDS AS CHEMOTHERAPEUTICS | The Board of Regents of The University of Texas System (US) | 2018-10-17 | — | — | EP | claimed |
| WO-2017100525-A1 | SUBSTITUTED BENZIMIDAZOLIUM, PYRIDO-IMIDAZOLIUM, OR PYRAZINO-IMIDAZOLIUM COMPOUNDS AS CHEMOTHERAPEUTICS | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-06-15 | — | — | WO | claimed |
| US-20110166132-A1 | Gamma Secretase Modulators | AMGEN INC. (US) | 2011-07-07 | — | — | US | claimed |
| EP-2231602-A1 | GAMMA SECRETASE MODULATORS | Amgen, Inc (US) | 2010-09-29 | — | — | EP | claimed |
| WO-2009075874-A1 | GAMMA SECRETASE MODULATORS | AMGEN INC. (US) | 2009-06-18 | — | — | WO | claimed |
| US-20180354909-A1 | SUBSTITUTED BENZIMIDAZOLIUM, PYRIDO-IMIDAZOLIUM, OR PYRAZINO-IMIDAZOLIUM COMPOUNDS AS CHEMOTHERAPEUTICS | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2018-12-13 | — | — | US | disclosed |
| EP-3386952-A1 | SUBSTITUTED BENZIMIDAZOLIUM, PYRIDO-IMIDAZOLIUM, OR PYRAZINO-IMIDAZOLIUM COMPOUNDS AS CHEMOTHERAPEUTICS | The Board of Regents of The University of Texas System (US) | 2018-10-17 | — | — | EP | disclosed |
| WO-2017100525-A1 | SUBSTITUTED BENZIMIDAZOLIUM, PYRIDO-IMIDAZOLIUM, OR PYRAZINO-IMIDAZOLIUM COMPOUNDS AS CHEMOTHERAPEUTICS | THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) | 2017-06-15 | — | — | WO | disclosed |
| US-20110166132-A1 | Gamma Secretase Modulators | AMGEN INC. (US) | 2011-07-07 | — | — | US | disclosed |
| EP-2231602-A1 | GAMMA SECRETASE MODULATORS | Amgen, Inc (US) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009075874-A1 | GAMMA SECRETASE MODULATORS | AMGEN INC. (US) | 2009-06-18 | — | — | WO | disclosed |