⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13717323 | 0.80 | — | — | |
| SCHEMBL9402276 | 0.79 | TSHR (0.53) | — | |
| SCHEMBL3714954 | 0.78 | — | — | |
| SCHEMBL6448801 | 0.78 | — | — | |
| SCHEMBL364463 | 0.78 | — | — | |
| SCHEMBL5077944 | 0.76 | SLC22A6 (0.50) | — | |
| SCHEMBL304303 | 0.76 | SLC22A6 (0.50) | — | |
| 3-Methylbutanoic Acid SCHEMBL467274 | 0.76 | TDP1 (0.56) | — | |
| 3-Methylbutanoic Acid SCHEMBL43436 | 0.76 | — | — | |
| 3-Methylbutanoic Acid SCHEMBL1331498 | 0.76 | — | — |
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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008112674-A1 | COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY | IRM LLC (BM) | 2008-09-18 | — | — | WO | claimed |
| US-20230348438-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2023-11-02 | — | — | US | disclosed |
| US-20210284627-A1 | INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2021-09-16 | — | — | US | disclosed |
| EP-3766877-A1 | INDOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 2021-01-20 | — | — | EP | disclosed |
| US-20200317644-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2020-10-08 | — | — | US | disclosed |
| US-20200255408-A1 | INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2020-08-13 | — | — | US | disclosed |
| EP-3524599-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | Japan Tobacco Inc. (JP) | 2019-08-14 | — | — | EP | disclosed |
| US-20180362506-A1 | INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2018-12-20 | — | — | US | disclosed |
| US-20180346449-A1 | PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2018-12-06 | — | — | US | disclosed |
| US-20170267662-A1 | INDOLE COMPOUNDS AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC. (JP) | 2017-09-21 | — | — | US | disclosed |
| US-5591752-A | LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE | UBE INDUSTRIES, LTD. (JP) | 1997-01-07 | — | — | US | disclosed |
| WO-1996021647-A1 | SUBSTITUTED 2-PHENYLPYRIDINES AS HERBICIDES | BASF AKTIENGESELLSCHAFT (DE) | 1996-07-18 | — | — | WO | disclosed |
| EP-0685478-A1 | QUINOLINE DERIVATIVE | UBE INDUSTRIES, LTD. (JP) | 1995-12-06 | — | — | EP | disclosed |
| EP-0045081-B1 | TRISUBSTITUTED IMIDAZOLE DERIVATIVES, PROCESSES FOR PREPARING THEM, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM, AND THEIR USE | CIBA-GEIGY AG (CH) | 1986-01-08 | — | — | EP | disclosed |
| US-4447431-A | VIRICIDES, ANTIINFLAMMATORY AND SUNCREEN AGENT | CIBA-GEIGY CORPORATION (US) | 1984-05-08 | — | — | US | disclosed |
| WO-1983002613-A1 | TRISUBSTITUTED OXAZO COMPOUNDS | SALLMANN, ALFRED | 1983-08-04 | — | — | WO | disclosed |
| WO-1983002611-A1 | TRISUBSTITUTED DIAZO COMPOUNDS | SALLMANN, ALFRED | 1983-08-04 | — | — | WO | disclosed |
| EP-0084756-A1 | Trisubstituted oxaza compounds | CIBA-GEIGY AG (CH) | 1983-08-03 | — | — | EP | disclosed |
| EP-0084757-A1 | Trisubstituted diaza derivatives | CIBA-GEIGY AG (CH) | 1983-08-03 | — | — | EP | disclosed |
| EP-0045081-A2 | Trisubstituted imidazole derivatives, processes for preparing them, pharmaceutical compositions containing them, and their use | CIBA-GEIGY AG (CH) | 1982-02-03 | — | — | EP | disclosed |