⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4012169 | 0.83 | BACE1 (0.49) | — | |
| SCHEMBL24296400 | 0.78 | PKM (0.47) | — | |
| SCHEMBL5741452 | 0.74 | GABRR1 (0.50) | — | |
| SCHEMBL5823701 | 0.74 | KDM4E (0.50) | — | |
| SCHEMBL1628817 | 0.71 | ABL1 (0.55) | — | |
| SCHEMBL18704029 | 0.69 | ABL1 (0.36) | — | |
| SCHEMBL5740112 | 0.69 | MET (0.41) | — | |
| SCHEMBL27849665 | 0.69 | HRH4 (0.44) | — | |
| SCHEMBL6244186 | 0.67 | ABL1 (0.34) | — | |
| SCHEMBL22566571 | 0.67 | KDM4E (0.34) | — |
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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108395408-B | Drug intermediate and preparation method thereof | 杰达维（上海）医药科技发展有限公司 | 2021-03-09 | — | — | CN | claimed |
| CN-108395408-A | A kind of pharmaceutical intermediate and preparation method thereof | 杰达维（上海）医药科技发展有限公司 | 2018-08-14 | — | — | CN | claimed |
| WO-2023001177-A1 | LPA1 SMALL MOLECULE ANTAGONIST | 上海拓界生物医药科技有限公司 | 2023-01-26 | — | — | WO | disclosed |
| WO-2022272060-A1 | EP2 ANTAGONIST COMPOUNDS | RESERVOIR NEUROSCIENCE, INC. (US) | 2022-12-29 | — | — | WO | disclosed |
| US-20210276991-A1 | CARDIAC SARCOMERE INHIBITORS | CYTOKINETICS, INC. | 2021-09-09 | — | — | US | disclosed |
| US-11091475-B2 | Methods and compositions for modulating splicing | SKYHAWK THERAPEUTICS, INC. (US) | 2021-08-17 | — | — | US | disclosed |
| US-20210171519-A1 | METHODS AND COMPOSITIONS FOR MODULATING SPLICING | SKYHAWK THERAPEUTICS, INC. | 2021-06-10 | — | — | US | disclosed |
| US-11008572-B2 | Methods and compositions for modulating splicing | SKYHAWK THERAPEUTICS, INC. (US) | 2021-05-18 | — | — | US | disclosed |
| CN-108395408-B | Drug intermediate and preparation method thereof | 杰达维（上海）医药科技发展有限公司 | 2021-03-09 | — | — | CN | disclosed |
| EP-3356330-B1 | BIARYL KINASE INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2019-11-20 | — | — | EP | disclosed |
| CN-108395408-A | A kind of pharmaceutical intermediate and preparation method thereof | 杰达维（上海）医药科技发展有限公司 | 2018-08-14 | — | — | CN | disclosed |
| WO-2011092197-A1 | 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-04 | — | — | WO | disclosed |
| WO-2011092197-A1 | 5-ALKYNYL PYRIMIDINES AND THEIR USE AS KINASE INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-04 | — | — | WO | disclosed |
| WO-2011092198-A1 | 5-ALKYNYL-PYRIMIDINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-08-04 | — | — | WO | disclosed |
| US-6943173-B2 | 5-substituted 2-aryl-4-pyrimidinones | NEUROGEN CORPORATION (US) | 2005-09-13 | — | — | US | disclosed |
| US-5773443-A | Triazole antifungal agents | PFIZER INC. (US) | 1998-06-30 | — | — | US | disclosed |
| US-5567817-A | Triazole antifungal agents | PFIZER INC. (US) | 1996-10-22 | — | — | US | disclosed |
| US-5278175-A | Halopyridyl fungicides | PFIZER INC. (US) | 1994-01-11 | — | — | US | disclosed |
| EP-0440372-B1 | TRIAZOLE ANTIFUNGAL AGENTS | Pfizer Limited (GB) | 1993-06-02 | — | — | EP | disclosed |
| EP-0440372-A1 | Triazole antifungal agents | Pfizer Limited (GB) | 1991-08-07 | — | — | EP | disclosed |