⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23873705 | 1.00 | — | — | |
| SCHEMBL21683202 | 1.00 | — | — | |
| SCHEMBL21701097 | 1.00 | — | — | |
| SCHEMBL21683204 | 0.88 | — | — | |
| SCHEMBL23873958 | 0.88 | — | — | |
| SCHEMBL21683207 | 0.88 | — | — | |
| SCHEMBL21701116 | 0.88 | — | — | |
| SCHEMBL23873862 | 0.86 | HTT (0.33) | — | |
| SCHEMBL21683214 | 0.86 | HTT (0.33) | — | |
| SCHEMBL21701171 | 0.86 | HTT (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20240182471-A1 | METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED | 2024-06-06 | — | — | US | disclosed |
| US-11912704-B2 | Methods and compositions for substituted arylcycloheptane analogs | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) | 2024-02-27 | — | — | US | disclosed |
| US-20210300928-A1 | METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. | 2021-09-30 | — | — | US | disclosed |
| WO-2020033567-A1 | METHODS AND COMPOSITIONS FOR SUBSTITUTED ARYLCYCLOHEPTANE ANALOGS | UNIVERSITY OF FLORIDA RESEARCH FOUNDATION (US) | 2020-02-13 | — | — | WO | disclosed |