⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2592835 | 1.00 | — | — | |
| SCHEMBL18753087 | 1.00 | — | — | |
| SCHEMBL34468196 | 0.84 | EGFR (0.35) | — | |
| SCHEMBL34468172 | 0.82 | EGFR (0.38) | — | |
| SCHEMBL34468179 | 0.82 | EGFR (0.38) | — | |
| SCHEMBL13604724 | 0.82 | EGFR (0.38) | — | |
| SCHEMBL5666704 | 0.81 | CHRM1 (0.36) | — | |
| SCHEMBL809574 | 0.81 | CHRM1 (0.36) | — | |
| SCHEMBL814572 | 0.81 | CHRM1 (0.36) | — | |
| SCHEMBL11764159 | 0.81 | — | — |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-219441659-U | Unsaturated ketone preparation ware | 山东新和成维生素有限公司 | 2023-08-01 | — | — | CN | disclosed |
| US-9018382-B2 | Indazoles | GLAXOSMITHKLINE LLC (US) | 2015-04-28 | — | — | US | disclosed |
| US-9018382-B2 | Indazoles | GLAXOSMITHKLINE LLC (US) | 2015-04-28 | — | — | US | disclosed |
| US-9018382-B2 | Indazoles | GLAXOSMITHKLINE LLC (US) | 2015-04-28 | — | — | US | disclosed |
| EP-2566328-B1 | INDAZOLES | GLAXOSMITHKLINE LLC (US) | 2015-03-04 | — | — | EP | disclosed |
| EP-2566328-B1 | INDAZOLES | GLAXOSMITHKLINE LLC (US) | 2015-03-04 | — | — | EP | disclosed |
| US-20140350013-A1 | INDAZOLES | GLAXOSMITHKLINE LLC | 2014-11-27 | — | — | US | disclosed |
| US-20140350013-A1 | INDAZOLES | GLAXOSMITHKLINE LLC | 2014-11-27 | — | — | US | disclosed |
| US-20140350013-A1 | INDAZOLES | GLAXOSMITHKLINE LLC | 2014-11-27 | — | — | US | disclosed |
| US-8846935-B2 | Indazoles | GLAXOSMITHKLINE LLC (US) | 2014-09-30 | — | — | US | disclosed |
| WO-2011140325-A1 | INDAZOLES | GLAXOSMITHKLINE LLC (US) | 2011-11-10 | — | — | WO | disclosed |
| WO-2011140325-A1 | INDAZOLES | GLAXOSMITHKLINE LLC (US) | 2011-11-10 | — | — | WO | disclosed |
| US-20100137318-A1 | BICYCLIC HETEROCYCLIC COMPOUND | ONO PHARMACEUTICAL CO., LTD. (JP) | 2010-06-03 | — | — | US | disclosed |
| EP-2154139-A1 | BICYCLIC HETEROCYCLIC COMPOUND | ONO Pharmaceutical Co., Ltd. (JP) | 2010-02-17 | — | — | EP | disclosed |
| US-5484949-A | Method for the synthesis of α β-unsaturated ketones | NIPPON SODA CO., LTD. (JP) | 1996-01-16 | — | — | US | disclosed |
| EP-0454867-A1 | A METHOD FOR THE SYNTHESIS OF -g(a), -g(b)-UNSATURATED KETONES. | NIPPON SODA CO (JP) | 1991-11-06 | — | — | EP | disclosed |
| WO-1991007370-A1 | A METHOD FOR THE SYNTHESIS OF α, β-UNSATURATED KETONES | NIPPON SODA CO., LTD. (JP) | 1991-05-30 | — | — | WO | disclosed |
| EP-0044413-B1 | 3,6-DIMETHYL-OCT-1-IN-3-OLS AND -OCT-1-EN-3-OLS AND DERIVATIVES THEREOF, THEIR USE AS FRAGRANCES AND PROCESS FOR PREPARING 3,6-DIMETHYL-OCTAN-3-OL | BASF Aktiengesellschaft (DE) | 1984-02-15 | — | — | EP | disclosed |
| US-4347388-A | 3,6-Dimethyl-3-hydroxy-oct-1-ynes and -oct-1-enes, derivatives of these, and their use as scents, and in the preparation of 3,6-dimethyl-3-hydroxy-octane | BASF AKTIENGESELLSCHAFT (DE) | 1982-08-31 | — | — | US | disclosed |
| EP-0044413-A1 | 3,6-Dimethyl-oct-1-in-3-ols and -oct-1-en-3-ols and derivatives thereof, their use as fragrances and process for preparing 3,6-dimethyl-octan-3-ol | BASF Aktiengesellschaft (DE) | 1982-01-27 | — | — | EP | disclosed |