⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4267494 | 0.76 | — | — | |
| SCHEMBL4275320 | 0.70 | — | — | |
| SCHEMBL6428438 | 0.67 | — | — | |
| SCHEMBL910940 | 0.64 | — | — | |
| SCHEMBL17609231 | 0.60 | — | — | |
| SCHEMBL27923661 | 0.60 | — | — | |
| SCHEMBL13054534 | 0.56 | — | — | |
| N,N-Dimethylethanaminium SCHEMBL2146567 | 0.56 | TSHR (0.36) | — | |
| N,N-Dimethylethanaminium SCHEMBL16338 | 0.56 | — | — | |
| SCHEMBL30 | 0.56 | — | — |
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 130 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090042730-A1 | Substituted Arylketones | HERRMANN STEFAN | 2009-02-12 | — | — | US | claimed |
| US-7456133-B2 | Substituted arylketones | BAYER CROPSCIENCE AG (DE) | 2008-11-25 | — | — | US | claimed |
| US-20060252647-A1 | Herbicides; broad active spectrum; on soil and above ground plant parts use | HERRMANN STEFAN | 2006-11-09 | — | — | US | claimed |
| US-20050090397-A1 | Herbicides made from substituted aryl ketones | BAYER CROPSCIENCE AG (GB) | 2005-04-28 | — | — | US | claimed |
| US-20040176253-A1 | Substitued arylketones | BAYER CROPSCIENCE AG (DE) | 2004-09-09 | — | — | US | claimed |
| US-11926633-B2 | Synthesis methods for upadacitinib and intermediate thereof | SUZHOU PENGXU PHARMATECH CO., LTD (CN) | 2024-03-12 | — | — | US | disclosed |
| WO-2022264759-A1 | ORGANIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT | キヤノン株式会社 | 2022-12-22 | — | — | WO | disclosed |
| US-20210323971-A1 | SYNTHESIS METHODS FOR UPADACITINIB AND INTERMEDIATE THEREOF | SUZHOU PENGXU PHARMATECH CO., LTD (CN) | 2021-10-21 | — | — | US | disclosed |
| EP-3845521-A2 | SYNTHESIS METHODS FOR UPADACITINIB AND INTERMEDIATE THEREOF | Suzhou Pengxu Pharmatech Co., Ltd. (CN) | 2021-07-07 | — | — | EP | disclosed |
| WO-2020043033-A2 | SYNTHESIS METHODS FOR UPADACITINIB AND INTERMEDIATE THEREOF | 苏州鹏旭医药科技有限公司 | 2020-03-05 | — | — | WO | disclosed |
| US-20200060995-A1 | Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity | ACADIA PHARMACEUTICALS INC. | 2020-02-27 | — | — | US | disclosed |
| US-20180256517-A1 | Substituted Phenethylamines With Serotoninergic And/Or Norepinephrinergic Activity | ACADIA PHARMACEUTICALS INC. | 2018-09-13 | — | — | US | disclosed |
| WO-1998024771-A1 | BENZAMIDE DERIVATIVES HAVING A VASOPRESSIN ANTAGONISTIC ACTIVITY | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1998-06-11 | — | — | WO | disclosed |
| EP-0819672-A2 | Hydroxamic acid derivatives and their use for improving latent image stability of a silver halide photographic material | FUJI PHOTO FILM CO., LTD. (JP) | 1998-01-21 | — | — | EP | disclosed |
| EP-0698814-A2 | Silver halide photographic material with improved latent image stability | FUJI PHOTO FILM CO., LTD. (JP) | 1996-02-28 | — | — | EP | disclosed |
| CN-1094055-A | The new inhibitor of aspartyl protease | VERTEX PHARMA (US) | 1994-10-26 | — | — | CN | disclosed |
| EP-0600831-A1 | Phtalazinon derivatives | CIBA-GEIGY AG (CH) | 1994-06-08 | — | — | EP | disclosed |
| EP-0600830-A1 | Substituted derivatives of diaminophthalimide as protein-tyrosine kinase inhibitors | CIBA-GEIGY AG (CH) | 1994-06-08 | — | — | EP | disclosed |
| EP-0600832-A1 | Derivatives of diamino benzoic and diamino phthalic acid und their use as protein linase inhibitors | CIBA-GEIGY AG (CH) | 1994-06-08 | — | — | EP | disclosed |
| US-4468247-A | Herbicidal 4-[3'-(4\"-trifluoromethyl-phenoxy)-phenoxy]-4-methyl-crotonates | CHEVRON RESEARCH COMPANY (US) | 1984-08-28 | — | — | US | disclosed |