⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9274773 | 0.87 | TOP2A (0.36) | — | |
| SCHEMBL469670 | 0.82 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL22077666 | 0.82 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL13074797 | 0.79 | CYP1A2 (0.30) | — | |
| SCHEMBL13260909 | 0.79 | HMGCR (0.41) | — | |
| SCHEMBL9261127 | 0.73 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL9287478 | 0.69 | TOP2A (0.39) | — | |
| SCHEMBL9270300 | 0.65 | TOP2A (0.36) | — | |
| SCHEMBL9264253 | 0.65 | TOP2A (0.43) | — | |
| SCHEMBL9273665 | 0.65 | HMGCR (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8106021-B2 | Benzylbenzene derivatives and methods of use | THERACOS, INC. (US) | 2012-01-31 | — | — | US | disclosed |
| US-20110207661-A1 | BENZYLBENZENE DERIVATIVES AND METHODS OF USE | THERACOS, INC. (US) | 2011-08-25 | — | — | US | disclosed |