⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14424602 | 0.79 | — | — | |
| SCHEMBL171133 | 0.79 | — | — | |
| SCHEMBL24351813 | 0.79 | ALDH1A1 (0.48) | — | |
| SCHEMBL2625448 | 0.78 | — | — | |
| Water SCHEMBL27718264 | 0.77 | TDP1 (0.46) | — | |
| Water SCHEMBL27760183 | 0.75 | ALDH1A1 (0.46) | — | |
| SCHEMBL8070779 | 0.75 | — | — | |
| SCHEMBL8255679 | 0.75 | — | — | |
| SCHEMBL8367111 | 0.75 | — | — | |
| SCHEMBL8397064 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021134086-A1 | ARYLCYCLOHEXYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF PSYCHIATRIC DISORDERS | GILGAMESH PHARMACEUTICALS, INC. (US) | 2021-07-01 | — | — | WO | disclosed |
| EP-3228300-A1 | HAIR DEFORMATION TREATMENT AGENT | Kao Corporation (JP) | 2017-10-11 | — | — | EP | disclosed |
| US-20120065432-A1 | ELECTROACTIVE MATERIALS | E.I DU PONT DE NEMOURS AND COMPANY (US) | 2012-03-15 | — | — | US | disclosed |
| US-20080191616-A1 | Polymer light-emitting devices based on interfaces enables by internally compensated doped conjugated ionomers | OREGON, UNIVERSITY OF | 2008-08-14 | — | — | US | disclosed |