⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL15798906 | 0.59 | — | — | |
| SCHEMBL21574132 | 0.55 | — | — | |
| SCHEMBL22810142 | 0.55 | CA1 (0.32) | — | |
| SCHEMBL8268163 | 0.55 | — | — | |
| SCHEMBL21897804 | 0.54 | — | — | |
| SCHEMBL11928886 | 0.54 | — | — | |
| SCHEMBL24481824 | 0.52 | — | — | |
| SCHEMBL22455213 | 0.52 | — | — | |
| SCHEMBL21664625 | 0.52 | — | — | |
| SCHEMBL20133208 | 0.52 | — | — |
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-20100069404-A1 | TETRAHYDROCYCLOPENTA[b] INDOLE COMPOUNDS AS ANDROGEN RECEPTOR MODULATORS | ELI LILLY AND COMPANY | 2010-03-18 | — | — | US | disclosed |