⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL747834 | 0.79 | — | — | |
| SCHEMBL6439443 | 0.79 | — | — | |
| SCHEMBL9745405 | 0.77 | — | — | |
| SCHEMBL11355378 | 0.74 | TSHR (0.47) | — | |
| SCHEMBL11350528 | 0.74 | TSHR (0.47) | — | |
| SCHEMBL11681953 | 0.74 | TSHR (0.47) | — | |
| SCHEMBL11350976 | 0.74 | TSHR (0.47) | — | |
| SCHEMBL11352336 | 0.74 | TSHR (0.47) | — | |
| SCHEMBL1905176 | 0.72 | — | — | |
| SCHEMBL251413 | 0.72 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1036105-A1 | PREPARATION OF POLYESTERS AND ESTERS FROM COMPOUNDS CONTAINING SECONDARY HYDROXYL GROUPS | EASTMAN CHEMICAL COMPANY (US) | 2000-09-20 | — | — | EP | claimed |
| WO-1999028368-A1 | PREPARATION OF POLYESTERS AND ESTERS FROM COMPOUNDS CONTAINING SECONDARY HYDROXYL GROUPS | EASTMAN CHEMICAL COMPANY (US) | 1999-06-10 | — | — | WO | claimed |
| EP-1036105-A1 | PREPARATION OF POLYESTERS AND ESTERS FROM COMPOUNDS CONTAINING SECONDARY HYDROXYL GROUPS | EASTMAN CHEMICAL COMPANY (US) | 2000-09-20 | — | — | EP | disclosed |
| WO-1999028368-A1 | PREPARATION OF POLYESTERS AND ESTERS FROM COMPOUNDS CONTAINING SECONDARY HYDROXYL GROUPS | EASTMAN CHEMICAL COMPANY (US) | 1999-06-10 | — | — | WO | disclosed |