⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5933287 | 0.92 | — | — | |
| SCHEMBL5932171 | 0.89 | THRB (0.42) | — | |
| SCHEMBL5932320 | 0.89 | THRB (0.42) | — | |
| SCHEMBL5932707 | 0.89 | THRB (0.42) | — | |
| SCHEMBL5932453 | 0.89 | THRB (0.42) | — | |
| SCHEMBL5932742 | 0.89 | THRB (0.42) | — | |
| SCHEMBL9634416 | 0.80 | ADRB2 (0.39) | — | |
| SCHEMBL3986271 | 0.80 | — | — | |
| SCHEMBL5933412 | 0.79 | TSHR (0.41) | — | |
| SCHEMBL4769331 | 0.73 | — | — |
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 63 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021263139-A1 | METHODS OF TREATING CORONAVIRUS INFECTION USING HSP90 INHIBITORS | DUKE UNIVERSITY (US) | 2021-12-30 | — | — | WO | disclosed |
| CN-111233926-B | Thiamine compound, preparation method and pharmaceutical composition thereof | 上海日馨生物科技有限公司 | 2021-04-16 | — | — | CN | disclosed |
| CN-111233927-B | Thiamine compound, preparation method and pharmaceutical composition thereof | 上海日馨生物科技有限公司 | 2021-03-26 | — | — | CN | disclosed |
| CN-111233925-B | Thiamine compound, preparation method and pharmaceutical composition thereof | 上海日馨生物科技有限公司 | 2021-03-26 | — | — | CN | disclosed |
| CN-111233925-A | Thiamine compound, preparation method and pharmaceutical composition thereof | 上海日馨生物科技有限公司 | 2020-06-05 | — | — | CN | disclosed |
| CN-111233927-A | Thiamine compound, preparation method and pharmaceutical composition thereof | 上海日馨生物科技有限公司 | 2020-06-05 | — | — | CN | disclosed |
| CN-111233926-A | Thiamine compound, preparation method and pharmaceutical composition thereof | 上海日馨生物科技有限公司 | 2020-06-05 | — | — | CN | disclosed |
| US-20200071308-A1 | Benzene, Pyridine, and Pyridazine Derivatives | ESANEX INC (US) | 2020-03-05 | — | — | US | disclosed |
| US-20190225587-A1 | INDAZOLYL- AND INDOLYL-BENZAMIDE DERIVATIVES | ESANEX, INC. | 2019-07-25 | — | — | US | disclosed |
| US-10246421-B2 | Indazolyl- and indolyl-benzamide derivatives | ESANEX, INC. (US) | 2019-04-02 | — | — | US | disclosed |
| EP-1473591-A1 | Recording material | FUJI PHOTO FILM CO., LTD. (JP) | 2004-11-03 | — | — | EP | disclosed |
| EP-0818512-B1 | Quinoline derivative and use of same | MITSUI CHEMICALS INC (JP) | 2002-10-02 | — | — | EP | disclosed |
| US-6407242-B1 | REACTING A PHTHALIMIDE COMPOUND WITH A QUINOLINE COMPOUND;ELECTROLUMINESCENCE | MITSUI CHEMICALS, INC. (JP) | 2002-06-18 | — | — | US | disclosed |
| US-6132640-A | ZINC COMPLEXES OF QUINOLINE | MITSUI CHEMICALS, INC. (JP) | 2000-10-17 | — | — | US | disclosed |
| EP-0818512-A1 | Quinoline derivative and use of same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1998-01-14 | — | — | EP | disclosed |
| US-5695911-A | CONTAINING PHTHALOCYANINE COMPOUND | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1997-12-09 | — | — | US | disclosed |
| US-5380842-A | Color filters | MITSUI TOATSU CHEMICALS, INCORPORATED (JP) | 1995-01-10 | — | — | US | disclosed |
| EP-0519423-A2 | Phthalocyanine compounds and usage thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1992-12-23 | — | — | EP | disclosed |
| US-4895981-A | Using ultraviolet absorber | CIBA-GEIGY CORPORATION (US) | 1990-01-23 | — | — | US | disclosed |
| US-4088554-A | MONOKETALS OF ESTERS AND AMIDES OF AROMATIC ALPHA, BETA-DIOXOCARBOXYLIC ACID | CIBA-GEIGY CORPORATION (US) | 1978-05-09 | — | — | US | disclosed |