⚠ 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 | |
|---|---|---|---|---|
| Pyridine SCHEMBL888329 | 0.86 | TSHR (0.41) | — | |
| SCHEMBL57549 | 0.83 | — | — | |
| Benzene SCHEMBL29147760 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL3496230 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL1554036 | 0.80 | — | — | |
| SCHEMBL2221687 | 0.80 | — | — | |
| Methane SCHEMBL222390 | 0.80 | — | — | |
| Methane SCHEMBL190374 | 0.80 | — | — | |
| Lithium SCHEMBL17474380 | 0.80 | — | — | |
| Naphthalene SCHEMBL3488504 | 0.74 | CYP2A6 (0.38) | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112142748-A | Pyrazolone pyrimidine compound, preparation method and application thereof | 上海医药集团股份有限公司 | 2020-12-29 | — | — | CN | claimed |
| CN-112142763-A | Pyrazolone pyrimidine compound, preparation method and application thereof | 上海医药集团股份有限公司 | 2020-12-29 | — | — | CN | claimed |
| CN-112142747-A | Pyrazolone pyrimidine compound, preparation method and application thereof | 上海医药集团股份有限公司 | 2020-12-29 | — | — | CN | claimed |
| CN-1426776-A | Composition for oxidation dyeing of keratin fibre | OREAL (FR) | 2003-07-02 | — | — | CN | claimed |
| CN-112142748-A | Pyrazolone pyrimidine compound, preparation method and application thereof | 上海医药集团股份有限公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-112142763-A | Pyrazolone pyrimidine compound, preparation method and application thereof | 上海医药集团股份有限公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-112142748-A | Pyrazolone pyrimidine compound, preparation method and application thereof | 上海医药集团股份有限公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-112142763-A | Pyrazolone pyrimidine compound, preparation method and application thereof | 上海医药集团股份有限公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-112142747-A | Pyrazolone pyrimidine compound, preparation method and application thereof | 上海医药集团股份有限公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-112142747-A | Pyrazolone pyrimidine compound, preparation method and application thereof | 上海医药集团股份有限公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-112142748-A | Pyrazolone pyrimidine compound, preparation method and application thereof | 上海医药集团股份有限公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-112142763-A | Pyrazolone pyrimidine compound, preparation method and application thereof | 上海医药集团股份有限公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-101711866-A | Method for identifying tumors that are responsive to treatment with anti-ErbB2 antibodies | HENENTECH INC | 2010-05-26 | — | — | CN | disclosed |
| CN-101098889-A | Antibody induced cell membrane wounding | PALINGEN INC (US) | 2008-01-02 | — | — | CN | disclosed |
| CN-1878568-A | Enhanced B cell cytotoxicity of CDIM binding antibody | PALINGEN INC (US) | 2006-12-13 | — | — | CN | disclosed |
| CN-1835768-A | Methods of identifying tumors responsive to treatment with anti-ErbB 2 antibodies | GENENTECH INC (US) | 2006-09-20 | — | — | CN | disclosed |
| CN-1267790-C | Automatic developing device and method for supplementing developing liquid | FUJI PHOTO FILM CO LTD (JP) | 2006-08-02 | — | — | CN | disclosed |
| CN-1771026-A | Drug delivery system comprising an encapsulated active ingredient | PROCTER & GAMBLE (US) | 2006-05-10 | — | — | CN | disclosed |
| US-20040121952-A1 | Treatment of cancer | CHILDREN'S MEDICAL CENTER CORPORATION (US) | 2004-06-24 | — | — | US | disclosed |
| CN-1312490-A | Automatic developing device and method for supplementing developing liquid | FUJI PHOTO FILM CO LTD (JP) | 2001-09-12 | — | — | CN | disclosed |