⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28593761 | 0.95 | — | — | |
| SCHEMBL28777982 | 0.81 | — | — | |
| SCHEMBL28777994 | 0.81 | — | — | |
| SCHEMBL29749234 | 0.81 | KDM4E (0.37) | — | |
| SCHEMBL28944345 | 0.79 | — | — | |
| SCHEMBL29195408 | 0.79 | — | — | |
| SCHEMBL15703784 | 0.77 | — | — | |
| SCHEMBL23933132 | 0.76 | — | — | |
| SCHEMBL3241965 | 0.76 | — | — | |
| SCHEMBL23933140 | 0.74 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111902403-B | Substituted alkynylene compounds as anticancer agents | 奥里吉恩发现科技有限公司 | 2024-05-17 | — | — | CN | disclosed |
| US-20230210847-A1 | Substituted Alkynylene Compounds As Anticancer Agents | AURIGENE ONCOLOGY LTD (IN) | 2023-07-06 | — | — | US | disclosed |
| US-11633394-B2 | Substituted alkynylene compounds as anticancer agents | AURIGENE ONCOLOGY LIMITED (IN) | 2023-04-25 | — | — | US | disclosed |
| US-20210379055-A1 | Substituted Alkynylene Compounds As Anticancer Agents | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2021-12-09 | — | — | US | disclosed |
| EP-3740473-A1 | SUBSTITUTED ALKYNYLENE COMPOUNDS AS ANTICANCER AGENTS | Aurigene Discovery Technologies Limited (IN) | 2020-11-25 | — | — | EP | disclosed |
| CN-111902403-A | Substituted alkynylene compounds as anticancer agents | 奥里吉恩发现科技有限公司 | 2020-11-06 | — | — | CN | disclosed |
| WO-2019142126-A1 | SUBSTITUTED ALKYNYLENE COMPOUNDS AS ANTICANCER AGENTS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2019-07-25 | — | — | WO | disclosed |
| EP-1294700-A2 | BENZHYDRYL DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-03-26 | — | — | EP | disclosed |
| WO-2002000631-A2 | BENZHYDRYL DERIVATIVES | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2002-01-03 | — | — | WO | disclosed |