⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17029264 | 0.86 | — | — | |
| SCHEMBL9189874 | 0.70 | SLC1A3 (0.30) | — | |
| SCHEMBL8512652 | 0.70 | — | — | |
| SCHEMBL13625331 | 0.67 | — | — | |
| SCHEMBL5481201 | 0.65 | SLC1A3 (0.36) | — | |
| SCHEMBL812694 | 0.63 | — | — | |
| SCHEMBL24719157 | 0.62 | TDP1 (0.42) | — | |
| SCHEMBL8412793 | 0.62 | — | — | |
| SCHEMBL15282550 | 0.62 | — | — | |
| SCHEMBL3037999 | 0.61 | KDM4E (0.42) | — |
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-3119739-A1 | LOW-PRESSURE SYNTHESIS OF CYCLOHEXANEDIMETHANOL AND DERIVATIVES | Eastman Chemical Company (US) | 2017-01-25 | — | — | EP | disclosed |
| WO-2015142549-A1 | LOW-PRESSURE SYNTHESIS OF CYCLOHEXANEDIMETHANOL AND DERIVATIVES | EASTMAN CHEMICAL COMPANY (US) | 2015-09-24 | — | — | WO | disclosed |
| WO-2015142549-A1 | LOW-PRESSURE SYNTHESIS OF CYCLOHEXANEDIMETHANOL AND DERIVATIVES | EASTMAN CHEMICAL COMPANY (US) | 2015-09-24 | — | — | WO | disclosed |
| US-9115155-B1 | Low-pressure synthesis of cyclohexanedimethanol and derivatives | EASTMAN CHEMICAL COMPANY (US) | 2015-08-25 | — | — | US | disclosed |
| US-9115155-B1 | Low-pressure synthesis of cyclohexanedimethanol and derivatives | EASTMAN CHEMICAL COMPANY (US) | 2015-08-25 | — | — | US | disclosed |