⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4772854 | 0.80 | NOTUM (0.31) | — | |
| SCHEMBL139222 | 0.76 | — | — | |
| SCHEMBL60542 | 0.73 | — | — | |
| SCHEMBL17868263 | 0.72 | — | — | |
| Ammonia Solution, Strong SCHEMBL27931519 | 0.71 | HSP90AA1 (0.42) | — | |
| SCHEMBL114393 | 0.70 | HSP90AA1 (0.42) | — | |
| SCHEMBL14096752 | 0.68 | — | — | |
| SCHEMBL894830 | 0.68 | DPP8 (0.34) | — | |
| Formamide SCHEMBL27905692 | 0.68 | DPP8 (0.40) | — | |
| SCHEMBL362028 | 0.67 | PKM (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3194397-A1 | 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) | Chronos Therapeutics Limited (GB) | 2017-07-26 | — | — | EP | disclosed |
| WO-2016042451-A1 | 2-[BIS(4-FLUOROPHENYL)METHYL]-2,7-DIAZASPIRO[4.5]DECAN-10-ONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HUMAN DOPAMINE-ACTIVE-TRANSPORTER (DAT) PROTEIN FOR THE TREATMENT OF E.G. ATTENTION DEFICIT DISORDER (ADD) | SHIRE INTERNATIONAL GMBH (CH) | 2016-03-24 | — | — | WO | disclosed |