⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL25368482 | 0.88 | SLC6A2 (0.39) | — | |
| SCHEMBL26875776 | 0.84 | LMNA (0.48) | — | |
| SCHEMBL29207730 | 0.82 | SLC6A1 (0.64) | — | |
| SCHEMBL5499043 | 0.82 | SLC6A1 (0.64) | — | |
| SCHEMBL31370174 | 0.82 | SLC6A1 (0.64) | — | |
| Hydrochloric Acid SCHEMBL25181844 | 0.81 | SLC6A1 (0.62) | — | |
| SCHEMBL13308548 | 0.79 | KMT2A (0.62) | — | |
| SCHEMBL2525645 | 0.79 | KMT2A (0.62) | — | |
| SCHEMBL13308547 | 0.79 | KMT2A (0.62) | — | |
| SCHEMBL29068055 | 0.78 | ARG1 (0.43) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023185073-A1 | PARP7 INHIBITOR AND USE THEREOF | 诺沃斯达药业(上海)有限公司 | 2023-10-05 | — | — | WO | disclosed |
| US-20230265116-A1 | DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE | BEONE MEDICINES I GMBH (CH) | 2023-08-24 | — | — | US | disclosed |
| US-20230265116-A1 | DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE | BEONE MEDICINES I GMBH (CH) | 2023-08-24 | — | — | US | disclosed |
| WO-2022012622-A1 | DEGRADATION OF (EGFR) BY CONJUGATION OF EGFR INHIBITORS WITH E3 LIGASE LIGAND AND METHODS OF USE | BEIGENE, LTD. (KY) | 2022-01-20 | — | — | WO | disclosed |
| WO-2019118612-A1 | TARGETING COMPOUNDS | ZAFGEN, INC. (US) | 2019-06-20 | — | — | WO | disclosed |
| WO-2019118612-A1 | TARGETING COMPOUNDS | ZAFGEN, INC. (US) | 2019-06-20 | — | — | WO | disclosed |
| US-9920073-B2 | Compositions useful for inhibiting HIV-1 infection and methods using same | DREXEL UNIVERSITY (US) | 2018-03-20 | — | — | US | disclosed |
| WO-2015051230-A1 | NOVEL COMPOSITIONS USEFUL FOR INHIBITING HIV-1 INFECTION AND METHODS USING SAME | DREXEL UNIVERSITY (US) | 2015-04-09 | — | — | WO | disclosed |