⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11121399 | 1.00 | — | — | |
| SCHEMBL16218399 | 0.87 | — | — | |
| SCHEMBL16382213 | 0.86 | — | — | |
| SCHEMBL22005636 | 0.86 | — | — | |
| SCHEMBL13767359 | 0.84 | — | — | |
| SCHEMBL13485259 | 0.84 | — | — | |
| SCHEMBL14038561 | 0.84 | — | — | |
| SCHEMBL15047209 | 0.84 | — | — | |
| SCHEMBL14326947 | 0.82 | POLB (0.31) | — | |
| SCHEMBL14997094 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-9115155-B1 | Low-pressure synthesis of cyclohexanedimethanol and derivatives | EASTMAN CHEMICAL COMPANY (US) | 2015-08-25 | — | — | US | disclosed |