⚠ 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 | |
|---|---|---|---|---|
| Ether SCHEMBL668696 | 0.95 | — | — | |
| Ether SCHEMBL239867 | 0.95 | — | — | |
| Ether SCHEMBL5027036 | 0.95 | — | — | |
| Ether SCHEMBL27305347 | 0.90 | ALDH1A1 (0.41) | — | |
| Ether SCHEMBL27628547 | 0.90 | — | — | |
| Ether SCHEMBL1133979 | 0.90 | — | — | |
| Ether SCHEMBL5542789 | 0.90 | — | — | |
| Ether SCHEMBL421875 | 0.90 | — | — | |
| Ether SCHEMBL28904981 | 0.90 | — | — | |
| Ether SCHEMBL9399885 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012038975-A2 | PROCESS FOR THE PREPARATION OF (3ARS,12BRS)-5-CHLORO-2-METHYL-2,3,3A12B-TETRAHYDRO-1HDIBENZO[2,3:6,7] OXEPINO [4,5-C]PYRROLE MALEATE AND IT'S PHARMACEUTICAL COMPOSITION THEREOF | MSN LABORATORIES LIMITED (IN) | 2012-03-29 | — | — | WO | claimed |