⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL540806 | 0.82 | TSHR (0.48) | — | |
| SCHEMBL540805 | 0.82 | TSHR (0.48) | — | |
| SCHEMBL11432981 | 0.82 | TSHR (0.48) | — | |
| SCHEMBL7018713 | 0.81 | TSHR (0.30) | — | |
| SCHEMBL7014735 | 0.79 | MAPT (0.44) | — | |
| SCHEMBL965400 | 0.78 | TSHR (0.45) | — | |
| SCHEMBL8384871 | 0.78 | TSHR (0.45) | — | |
| SCHEMBL7197618 | 0.76 | CA1 (0.43) | — | |
| SCHEMBL7019426 | 0.76 | TSHR (0.38) | — | |
| SCHEMBL3995220 | 0.75 | TSHR (0.42) | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7312200-B2 | 9-ketospinosyn derivatives | BAYER CROPSCIENCE AG (DE) | 2007-12-25 | — | — | US | claimed |
| US-20060128642-A1 | 9-Ketospinosyn derivatives | BAYER CROPSCIENCE AG (DE) | 2006-06-15 | — | — | US | claimed |
| EP-1590358-A1 | 9-KETOSPINOSYN DERIVATIVES | Bayer CropScience Aktiengesellschaft (DE) | 2005-11-02 | — | — | EP | claimed |
| WO-2004065402-A1 | 9-KETOSPINOSYN DERIVATIVES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2004-08-05 | — | — | WO | claimed |
| US-RE49686-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-10 | — | — | US | disclosed |
| US-20210040062-A1 | AZOLE-SUBSTITUTED PYRIDINE COMPOUND | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2021-02-11 | — | — | US | disclosed |
| US-RE48334-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-12-01 | — | — | US | disclosed |
| EP-3418276-A1 | AZOLE-SUBSTITUTED PYRIDINE COMPOUND | Taisho Pharmaceutical Co., Ltd. (JP) | 2018-12-26 | — | — | EP | disclosed |
| US-8592454-B2 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-11-26 | — | — | US | disclosed |
| EP-2128139-B1 | FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME, AND FLUORINE-CONTAINING PYRAZOLECARBOXYLIC ACID DERIVATIVE OBTAINED BY USING THE FLUORINE-CONTAINING PYRAZOLECARBONITRILE DERIVATIVE AND METHOD FOR PRODUCING THE SAME | MITSUI CHEMICALS AGRO INC (JP) | 2013-08-07 | — | — | EP | disclosed |
| US-8344156-B2 | Method for producing fluorine-containing acylacetic acid derivative, method for producing fluorine-containing pyrazolecarboxylic acid ester derivative, and method for producing fluorine-containing pyrazolecarboxylic acid derivative | MITSUI CHEMICALS AGRO, INC. (JP) | 2013-01-01 | — | — | US | disclosed |
| WO-2011094890-A1 | PHENYLALANINE DERIVATIVES AND THEIR USE AS NON-PEPTIDE GLP-1 RECEPTOR MODULATORS | ARGUSINA INC. (US) | 2011-08-11 | — | — | WO | disclosed |
| US-7312200-B2 | 9-ketospinosyn derivatives | BAYER CROPSCIENCE AG (DE) | 2007-12-25 | — | — | US | disclosed |
| US-20060128642-A1 | 9-Ketospinosyn derivatives | BAYER CROPSCIENCE AG (DE) | 2006-06-15 | — | — | US | disclosed |
| US-20040058903-A1 | Benzamide compounds as apo b secretion inhibitors | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-03-25 | — | — | US | disclosed |
| WO-2003106435-A1 | FUSED-RING PYRIMIDIN-4(3H)-ONE DERIVATIVES, PROCESSES FOR THE PREPARATION AND USES THEREOF | SANKYO COMPANY, LIMITED (JP) | 2003-12-24 | — | — | WO | disclosed |
| EP-1326835-A1 | BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002028835-A1 | BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-04-11 | — | — | WO | disclosed |
| US-5861429-A | MITICIDES AND ANTHELMINTICS | SANKYO COMPANY, LIMITED (JP) | 1999-01-19 | — | — | US | disclosed |
| EP-0600147-A1 | Tetralones with pharmacological activity, compositions containing them and process for their preparation | J. URIACH & CIA. S.A. (ES) | 1994-06-08 | — | — | EP | disclosed |