⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3166953 | 0.91 | — | — | |
| SCHEMBL20378020 | 0.88 | ALDH1A1 (0.47) | — | |
| SCHEMBL2307386 | 0.81 | — | — | |
| SCHEMBL125055 | 0.80 | — | — | |
| SCHEMBL2818804 | 0.79 | ALDH1A1 (0.69) | — | |
| SCHEMBL1269985 | 0.79 | ALDH1A1 (0.69) | — | |
| SCHEMBL357415 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL2945318 | 0.76 | ALDH1A1 (0.64) | — | |
| SCHEMBL2943010 | 0.76 | ALDH1A1 (0.64) | — | |
| SCHEMBL3040312 | 0.76 | ALDH1A1 (0.64) | — |
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 108 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3478284-B1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER | UNIV CALIFORNIA (US) | 2023-10-04 | — | — | EP | claimed |
| CN-116496256-A | Carbonyl bridged heterocyclic compound, and composition and application thereof | 北京赛特明强医药科技有限公司 | 2023-07-28 | — | — | CN | claimed |
| WO-2023131116-A1 | CARBONYL BRIDGED HETEROCYCLIC COMPOUND, AND COMPOSITION AND APPLICATION THEREOF | 北京赛特明强医药科技有限公司 | 2023-07-13 | — | — | WO | claimed |
| US-20230150942-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2023-05-18 | — | — | US | claimed |
| US-11560356-B2 | Compounds and compositions for the treatment of cancer | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2023-01-24 | — | — | US | claimed |
| CN-109661229-B | Compounds and compositions for the treatment of cancer | 加利福尼亚大学董事会 | 2022-06-28 | — | — | CN | claimed |
| US-20210009523-A1 | Compounds and Compositions for the Treatment of Cancer | RASCAL THERAPEUTICS, INC. | 2021-01-14 | — | — | US | claimed |
| EP-3478284-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER | The Regents of The University of California (US) | 2019-05-08 | — | — | EP | claimed |
| WO-2018005678-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2018-01-04 | — | — | WO | claimed |
| EP-0797448-B1 | COMBINATION PREPARATION, CONTAINING CYCLOSPORIN A OR FK506 OR RAPAMYCIN AND A XANTHINE DERIVATIVE | HOECHST AG (DE) | 2003-02-26 | — | — | EP | claimed |
| US-5824811-A | 22-Thiavitamin D3 derivatives | CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) | 1998-10-20 | — | — | US | claimed |
| EP-0797448-A2 | COMBINATION PREPARATION, CONTAINING CYCLOSPORIN A OR FK506 OR RAPAMYCIN AND A XANTHINE DERIVATIVE | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-10-01 | — | — | EP | claimed |
| EP-0413278-B1 | Use of xanthine derivatives against peptic ulcers | HOECHST JAPAN (JP) | 1996-11-06 | — | — | EP | claimed |
| WO-1996005854-A2 | COMBINATION PREPARATION, CONTAINING CYCLOSPORIN A OR FK506 OR RAPAMYCIN AND A XANTHINE DERIVATIVE | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-02-29 | — | — | WO | claimed |
| US-5109003-A | METHOD FOR THE TREATMENT OF PEPTIC ULCER DISEASE | HOECHST JAPAN LIMITED (JP) | 1992-04-28 | — | — | US | claimed |
| EP-0413278-A2 | Use of xanthine derivatives against peptic ulcers | HOECHST JAPAN LIMITED (JP) | 1991-02-20 | — | — | EP | claimed |
| US-4956374-A | BACTERICIDES, CANDIDA | BRISTOL-MYERS COMPANY (US) | 1990-09-11 | — | — | US | claimed |
| EP-0375757-A1 | COMPOUNDS EFFECTIVE IN INDUCING CELL DIFFERENTIATION | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1990-07-04 | — | — | EP | claimed |
| US-4927815-A | HOMOLOGS OF 1,25-DIHYDROXYVITAMIN D3 AS AGENTS FOR THE TREATMENT OF NEOPLASTIC DISEASES | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1990-05-22 | — | — | US | claimed |
| WO-1989010353-A1 | COMPOUNDS EFFECTIVE IN INDUCING CELL DIFFERENTIATION | WISCONSIN ALUMNI RESEARCH FOUNDATION (US) | 1989-11-02 | — | — | WO | claimed |