⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL901267 | 0.96 | TSHR (0.56) | — | |
| SCHEMBL10669 | 0.96 | — | — | |
| SCHEMBL23480 | 0.96 | — | — | |
| SCHEMBL178293 | 0.96 | — | — | |
| Alcohol SCHEMBL4337665 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL2153659 | 0.93 | — | — | |
| SCHEMBL28466623 | 0.93 | — | — | |
| Alcohol SCHEMBL2946876 | 0.93 | — | — | |
| SCHEMBL842225 | 0.93 | — | — | |
| Alcohol SCHEMBL2948661 | 0.93 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0614453-A4 | MANUFACTURE OF TRIMETHYLOLPROPANE. | ARISTECH CHEMICAL CORP (US) | 1994-09-21 | — | — | EP | disclosed |
| EP-0614453-A1 | MANUFACTURE OF TRIMETHYLOLPROPANE | Aristech Chemical Corporation (US) | 1994-09-14 | — | — | EP | disclosed |
| WO-1994007831-A1 | MANUFACTURE OF TRIMETHYLOLPROPANE | ARISTECH CHEMICAL CORPORATION (US) | 1994-04-14 | — | — | WO | disclosed |
| EP-0044412-B1 | PROCESS FOR THE PRODUCTION OF PROPANE DIOLS | BASF Aktiengesellschaft (DE) | 1984-01-25 | — | — | EP | disclosed |
| EP-0044412-A1 | Process for the production of propane diols | BASF Aktiengesellschaft (DE) | 1982-01-27 | — | — | EP | disclosed |