⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2381127 | 1.00 | — | — | |
| SCHEMBL2382178 | 1.00 | — | — | |
| Water SCHEMBL27910099 | 0.96 | — | — | |
| Trimethylammonium SCHEMBL28269011 | 0.89 | — | — | |
| Benzene SCHEMBL27744345 | 0.89 | TSHR (0.41) | — | |
| SCHEMBL28029649 | 0.83 | — | — | |
| SCHEMBL3973690 | 0.73 | — | — | |
| SCHEMBL3971527 | 0.73 | — | — | |
| SCHEMBL950911 | 0.73 | — | — | |
| Butanol SCHEMBL27952473 | 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 1998 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240150371-A1 | Compounds for the Treatment of Kinase-Dependent Disorders | EXELIXIS, INC. | 2024-05-09 | — | — | US | claimed |
| US-20240082166-A1 | ORAL CAPSULE OF PARP INHIBITOR AND PREPARATION METHOD THEREOF | Impact Therapeutics (Shanghai), Inc (CN) | 2024-03-14 | — | — | US | claimed |
| EP-4313054-A1 | ORAL CAPSULE OF PARP INHIBITOR AND PREPARATION METHOD THEREOF | Impact Therapeutics (Shanghai), Inc (CN) | 2024-02-07 | — | — | EP | claimed |
| CN-117062608-A | Oral capsule of PARP inhibitor and preparation method thereof | 上海瑛派药业有限公司 | 2023-11-14 | — | — | CN | claimed |
| WO-2023138667-A1 | COMPOUND PREPARATION OF SENAPARIB AND TEMOZOLOMIDE AND PREPARATION METHOD THEREFOR | 上海瑛派药业有限公司 | 2023-07-27 | — | — | WO | claimed |
| CN-114456123-A | FXR (FXR) regulator as well as preparation method and application thereof | 中国科学院上海药物研究所 | 2022-05-10 | — | — | CN | claimed |
| US-20210300936-A1 | PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST | BEONE MEDICINES I GMBH (CH) | 2021-09-30 | — | — | US | claimed |
| US-11021493-B2 | 1,4-thiazine dioxide and 1,2,4-thiadiazine dioxide derivatives as beta-secretase inhibitors and methods of use | AMGEN INC. (US) | 2021-06-01 | — | — | US | claimed |
| CN-112469722-A | Pyrazolo-triazolopyrimidine derivatives as A2A receptor antagonists | 百济神州有限公司 | 2021-03-09 | — | — | CN | claimed |
| US-20210040076-A1 | Compounds for the Treatment of Kinase-Dependent Disorders | EXELIXIS, INC. | 2021-02-11 | — | — | US | claimed |
| EP-0243959-A1 | Substituted benzamide derivatives, processes for the preparation thereof, and pharmaceutical compositions containing the same | Dainippon Pharmaceutical Co., Ltd. (JP) | 1987-11-04 | — | — | EP | claimed |
| US-4582897-A | 2-AZO-4-SULFO-4-METHYLDIPHENYL SULFONE DERIVATIVES | CIBA-GEIGY CORPORATION (US) | 1986-04-15 | — | — | US | claimed |
| EP-0152660-A1 | Isopropenyl phosphonic acid copolymers and methods of use thereof | BETZ EUROPE, INC. (US) | 1985-08-28 | — | — | EP | claimed |
| EP-0042357-B1 | AZO DYES, THEIR PREPARATION AND USE | CIBA-GEIGY AG (CH) | 1984-06-06 | — | — | EP | claimed |
| US-4446028-A | Isopropenyl phosphonic acid copolymers used to inhibit scale formation | BETZ LABORATORIES, INC. (US) | 1984-05-01 | — | — | US | claimed |
| EP-0042357-A2 | Azo dyes, their preparation and use | CIBA-GEIGY AG (CH) | 1981-12-23 | — | — | EP | claimed |
| US-4238606-A | ANTIALLERGANS | FISONS LIMITED (GB) | 1980-12-09 | — | — | US | claimed |
| EP-0003663-A2 | Amino-substituted phenyl and heteroaryl compounds, process for their preparation and pharmaceutical compositions containing them | AMERICAN CYANAMID COMPANY (US) | 1979-08-22 | — | — | EP | claimed |
| US-4159273-A | ANTIALLERGENS, ANTIHISTAMINES | FISONS LIMITED (GB) | 1979-06-26 | — | — | US | claimed |
| EP-0002223-A2 | Naphthalimide derivatives, processes for their preparation, and their use as optical brightening agents | BASF Aktiengesellschaft (DE) | 1979-06-13 | — | — | EP | claimed |