⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2896968 | 1.00 | — | — | |
| SCHEMBL12474752 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL25295815 | 0.98 | DPP4 (0.46) | — | |
| Hydrochloric Acid SCHEMBL25295814 | 0.98 | DPP4 (0.46) | — | |
| SCHEMBL15011796 | 0.89 | DPP4 (0.43) | — | |
| SCHEMBL17143263 | 0.89 | DPP4 (0.43) | — | |
| SCHEMBL1934485 | 0.84 | DPP4 (0.37) | — | |
| SCHEMBL21072610 | 0.83 | DPP4 (0.37) | — | |
| SCHEMBL52330 | 0.83 | DPP4 (0.46) | — | |
| SCHEMBL15106092 | 0.83 | DPP4 (0.46) | — |
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 57 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117980310-A | Alkylene derivatives as KRAS inhibitors | 尼坎治疗公司 | 2024-05-03 | — | — | CN | claimed |
| EP-3672952-B1 | BENZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2022-12-14 | — | — | EP | claimed |
| EP-3661941-B1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2022-12-14 | — | — | EP | claimed |
| US-20220306588-A1 | BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2022-09-29 | — | — | US | claimed |
| US-11453647-B2 | Benzimidazole derivatives as adenosine receptor antagonists | MERCK PATENT GMBH (DE) | 2022-09-27 | — | — | US | claimed |
| US-11186592-B2 | Thiazolopyridine derivatives as adenosine receptor antagonists | MERCK PATENT GMBH (DE) | 2021-11-30 | — | — | US | claimed |
| US-20200207720-A1 | BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2020-07-02 | — | — | US | claimed |
| EP-3672952-A1 | BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | Merck Patent GmbH (DE) | 2020-07-01 | — | — | EP | claimed |
| US-20200181171-A1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2020-06-11 | — | — | US | claimed |
| EP-3661941-A1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | Merck Patent GmbH (DE) | 2020-06-10 | — | — | EP | claimed |
| WO-2019038215-A1 | BEZIMIDAZOLE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-28 | — | — | WO | claimed |
| WO-2019025099-A1 | THIAZOLOPYRIDINE DERIVATIVES AS ADENOSINE RECEPTOR ANTAGONISTS | MERCK PATENT GMBH (DE) | 2019-02-07 | — | — | WO | claimed |
| EP-4536668-A1 | PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS KRAS INHIBITORS | Bristol-Myers Squibb Company (US) | 2025-04-16 | — | — | EP | disclosed |
| WO-2025024707-A1 | INHIBITORS OF CDK2/4/6 KINASE | KINNATE BIOPHARMA INC. (US) | 2025-01-30 | — | — | WO | disclosed |
| US-20240279338-A1 | Combination Treatment of Cancer | ARES TRADING SA (CH) | 2024-08-22 | — | — | US | disclosed |
| WO-2023240188-A1 | PYRIDO[4,3-D]PYRIMIDINE DERIVATIVES AS KRAS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-12-14 | — | — | WO | disclosed |
| EP-1562925-A1 | PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | Merck & Co., Inc. (US) | 2005-08-17 | — | — | EP | disclosed |
| WO-2005058849-A1 | NEW DIPEPTIDYL PEPTIDASE IN INHIBITORS; PROCESS FOR THEIR PREPARATION AND COMPOSITIONS CONTAINING THEM | GLENMARK PHARMACEUTICALS LTD. (US) | 2005-06-30 | — | — | WO | disclosed |
| WO-2005044195-A2 | FUSED PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2005-05-19 | — | — | WO | disclosed |
| WO-2004043940-A1 | PHENYLALANINE DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES | MERCK & CO., INC. (US) | 2004-05-27 | — | — | WO | disclosed |