⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28337071 | 0.75 | — | — | |
| SCHEMBL7433410 | 0.72 | THRB (0.35) | — | |
| SCHEMBL2776908 | 0.70 | — | — | |
| Formaldehyde SCHEMBL2170447 | 0.70 | CA2 (0.37) | — | |
| Trifluoroacetic Acid SCHEMBL6494188 | 0.70 | ALDH1A1 (0.40) | — | |
| Ethylene SCHEMBL10949111 | 0.70 | CA2 (0.37) | — | |
| Trifluoroacetic Acid SCHEMBL5616738 | 0.70 | CA4 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL6323631 | 0.70 | — | — | |
| Trifluoroacetic Acid SCHEMBL21816618 | 0.70 | — | — | |
| Trifluoroacetic Acid SCHEMBL21904726 | 0.70 | ALDH1A1 (0.40) | — |
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 245 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10800746-B2 | Oxoalkyl-substituted phenyltriazole derivatives and uses thereof | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2020-10-13 | — | — | US | claimed |
| EP-3452457-B1 | OXOALKYL-SUBSTITUTED PHENYLTRIAZOLE DERIVATIVES AND USES THEREOF | Bayer Pharma AG (DE) | 2020-03-18 | — | — | EP | claimed |
| US-20190161453-A1 | OXOALKYL-SUBSTITUTED PHENYLTRIAZOLE DERIVATIVES AND USES THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2019-05-30 | — | — | US | claimed |
| EP-3452457-A1 | OXOALKYL-SUBSTITUTED PHENYLTRIAZOLE DERIVATIVES AND USES THEREOF | Bayer Pharma Aktiengesellschaft (DE) | 2019-03-13 | — | — | EP | claimed |
| CN-109071464-A | The Phenyltriazole derivatives and application thereof that oxoalkyl group replaces | 拜耳制药股份公司 | 2018-12-21 | — | — | CN | claimed |
| CN-105745193-B | Antimycotic oxo-dihydro pyridine carbohydrazide derivative | 株式会社大熊制药 | 2017-12-01 | — | — | CN | claimed |
| WO-2017191115-A1 | OXOALKYL-SUBSTITUTED PHENYLTRIAZOLE DERIVATIVES AND USES THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2017-11-09 | — | — | WO | claimed |
| CN-105745193-A | Novel antifungal oxodihydropyridinecarbohydrazide derivative | 株式会社大熊制药 | 2016-07-06 | — | — | CN | claimed |
| US-20130261115-A1 | IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2013-10-03 | — | — | US | claimed |
| EP-1992349-B1 | CGRP antagonists, their preparation and use as a medicament | BOEHRINGER INGELHEIM INT (DE) | 2013-07-31 | — | — | EP | claimed |
| EP-2176264-B1 | IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES FOR TREATING HEMATOLOGICAL DISORDERS | BAYER IP GMBH (DE) | 2012-12-19 | — | — | EP | claimed |
| US-20110053929-A1 | IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2011-03-03 | — | — | US | claimed |
| EP-2176264-A1 | IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE | Bayer Schering Pharma AG (DE) | 2010-04-21 | — | — | EP | claimed |
| WO-2009007029-A1 | IMIDAZO-, PYRAZOLOPYRAZINES AND IMIDAZOTRIAZINES AND THEIR USE | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-01-15 | — | — | WO | claimed |
| EP-1992349-A1 | CGRP antagonists, their preparation and use as a medicament | Boehringer Ingelheim International GmbH (DE) | 2008-11-19 | — | — | EP | claimed |
| EP-1863791-A1 | 2-OXO-1,2,4,5-TETRAHYDRO-1,3-BENZODIAZEPIN-3-YL-PIPERIDINES USED AS CGRP ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2007-12-12 | — | — | EP | claimed |
| WO-2006100026-A1 | 2-OXO-1,2,4,5-TETRAHYDRO-1,3-BENZODIAZEPIN-3-YL-PIPERIDINES USED AS CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2006-09-28 | — | — | WO | claimed |
| JP-2040338-A | — | — | None | — | — | JP | disclosed |
| JP-H0240338-A | PRODUCTION OF 1-HALOGENO-3,3,3-TRIFLUOROACETONE | CENTRAL GLASS CO LTD | 1990-02-09 | — | — | JP | disclosed |
| US-4898859-A | 2-Oxa-isocephem compounds and compositions containing same | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1990-02-06 | — | — | US | disclosed |