⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10123024 | 0.90 | CHRNA7 (0.33) | — | |
| SCHEMBL10123195 | 0.87 | HSD11B1 (0.33) | — | |
| SCHEMBL10123131 | 0.86 | CYP19A1 (0.34) | — | |
| SCHEMBL10123199 | 0.84 | ESR1 (0.34) | — | |
| SCHEMBL10123030 | 0.83 | HTR2A (0.34) | — | |
| SCHEMBL10123354 | 0.83 | — | — | |
| SCHEMBL10123213 | 0.83 | MEN1 (0.31) | — | |
| SCHEMBL10123362 | 0.82 | ALDH1A1 (0.32) | — | |
| SCHEMBL10123200 | 0.80 | LMNA (0.36) | — | |
| SCHEMBL10123012 | 0.80 | OPRM1 (0.35) | — |
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-8093302-B2 | Substituted tetralins as selective estrogen receptor-β agonists | ELI LILLY AND COMPANY (US) | 2012-01-10 | — | — | US | disclosed |
| US-20100249075-A1 | SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS | ELI LILLY AND COMPANY (US) | 2010-09-30 | — | — | US | disclosed |