⚠ 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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11586511 | 0.74 | — | — | |
| SCHEMBL4428325 | 0.71 | — | — | |
| SCHEMBL4584593 | 0.67 | — | — | |
| SCHEMBL12395175 | 0.64 | — | — | |
| SCHEMBL12338363 | 0.62 | — | — | |
| SCHEMBL26890054 | 0.60 | — | — | |
| SCHEMBL840299 | 0.59 | — | — | |
| SCHEMBL1106903 | 0.58 | — | — | |
| SCHEMBL17659060 | 0.58 | — | — | |
| SCHEMBL8173151 | 0.57 | — | — |
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-7612114-B2 | Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2009-11-03 | — | — | US | disclosed |