⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17019780 | 0.86 | — | — | |
| SCHEMBL8512652 | 0.61 | — | — | |
| SCHEMBL9189874 | 0.61 | SLC1A3 (0.30) | — | |
| SCHEMBL13625331 | 0.57 | — | — | |
| SCHEMBL5481201 | 0.56 | SLC1A3 (0.36) | — | |
| SCHEMBL6252704 | 0.56 | CYP1A2 (0.36) | — | |
| SCHEMBL812694 | 0.54 | — | — | |
| SCHEMBL24719157 | 0.53 | TDP1 (0.42) | — | |
| SCHEMBL8412793 | 0.53 | — | — | |
| SCHEMBL15282550 | 0.53 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9115155-B1 | Low-pressure synthesis of cyclohexanedimethanol and derivatives | EASTMAN CHEMICAL COMPANY (US) | 2015-08-25 | — | — | US | disclosed |