⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26049592 | 1.00 | — | — | |
| SCHEMBL18104549 | 0.82 | GABRR1 (0.39) | — | |
| SCHEMBL26193484 | 0.80 | TRPV1 (0.44) | — | |
| SCHEMBL18543653 | 0.80 | TRPV1 (0.44) | — | |
| SCHEMBL5052337 | 0.79 | GABRR1 (0.43) | — | |
| SCHEMBL12173810 | 0.78 | TRPV1 (0.48) | — | |
| SCHEMBL24630104 | 0.77 | GABRR1 (0.39) | — | |
| SCHEMBL565763 | 0.75 | GABRR1 (0.42) | — | |
| SCHEMBL3766855 | 0.75 | — | — | |
| SCHEMBL17359885 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1948763-A1 | PROCESS FOR PRODUCING VARIABLE SYNGAS COMPOSITIONS | EASTMAN CHEMICAL COMPANY (US) | 2008-07-30 | — | — | EP | disclosed |
| WO-2007061616-A1 | PROCESS FOR PRODUCING VARIABLE SYNGAS COMPOSITIONS | EASTMAN CHEMICAL COMPANY (US) | 2007-05-31 | — | — | WO | disclosed |