⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16193551 | 0.81 | GRIK1 (0.31) | — | |
| SCHEMBL17542256 | 0.77 | — | — | |
| SCHEMBL17542218 | 0.77 | — | — | |
| SCHEMBL9766372 | 0.77 | — | — | |
| SCHEMBL11300958 | 0.77 | — | — | |
| SCHEMBL15132316 | 0.76 | — | — | |
| SCHEMBL6324428 | 0.76 | CA2 (0.31) | — | |
| SCHEMBL21551353 | 0.76 | — | — | |
| SCHEMBL18190273 | 0.75 | — | — | |
| SCHEMBL8545920 | 0.72 | ALDH1A1 (0.37) | — |
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-0778852-A1 | THERMOSET ELASTOMERS | THE DOW CHEMICAL COMPANY (US) | 1997-06-18 | — | — | EP | claimed |
| WO-1996007681-A1 | THERMOSET ELASTOMERS | THE DOW CHEMICAL COMPANY (US) | 1996-03-14 | — | — | WO | claimed |