⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5188926 | 0.82 | — | — | |
| SCHEMBL319964 | 0.75 | — | — | |
| Tert-Butanol SCHEMBL14782175 | 0.73 | — | — | |
| SCHEMBL14221898 | 0.72 | — | — | |
| SCHEMBL819257 | 0.70 | — | — | |
| Phosphoric Acid SCHEMBL28561793 | 0.70 | LMNA (0.56) | — | |
| SCHEMBL27028519 | 0.68 | THRB (0.55) | — | |
| SCHEMBL504018 | 0.68 | THRB (0.55) | — | |
| SCHEMBL8968 | 0.68 | — | — | |
| SCHEMBL21837322 | 0.68 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11771643-B2 | Cleansing compositions completely based on bio-renewable sources | GALAXY SURFACTANTS LTD. (IN) | 2023-10-03 | — | — | US | disclosed |
| US-20230165784-A1 | CLEANSING COMPOSITIONS COMPLETELY BASED ON BIO-RENEWABLE SOURCES | GALAXY SURFACTANTS LTD. (IN) | 2023-06-01 | — | — | US | disclosed |
| WO-2014086751-A1 | USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYLOALKENYL ETHYNYL)-CYCLOHEXANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AG (DE) | 2014-06-12 | — | — | WO | disclosed |
| WO-2014086723-A1 | USE OF SUBSTITUTED 1-(ARYL ETHYNYL)-, 1-(HETEROARYL ETHYNYL)-, 1-(HETEROCYCLYL ETHYNYL)- AND 1-(CYLOALKENYL ETHYNYL)-BICYCLOALKANOLS AS ACTIVE AGENTS AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AG (DE) | 2014-06-12 | — | — | WO | disclosed |
| WO-2009108546-A1 | AHCY HYDROLASE INHIBITORS FOR TREATMENT OF HYPER HOMOCYSTEINEMIA | MERCK & CO., INC. (US) | 2009-09-03 | — | — | WO | disclosed |