⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL459689 | 1.00 | — | — | |
| SCHEMBL20670 | 0.72 | — | — | |
| SCHEMBL7559766 | 0.71 | — | — | |
| SCHEMBL7559770 | 0.71 | — | — | |
| SCHEMBL30185 | 0.70 | — | — | |
| Ethylene SCHEMBL20544036 | 0.69 | — | — | |
| Fluoride SCHEMBL15259556 | 0.69 | — | — | |
| SCHEMBL11668132 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL310744 | 0.69 | — | — | |
| SCHEMBL15833468 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2005272354-A | DIBENZOSUBERYLPIPERAZINE DERIVATIVE AND MEDICINAL COMPOSITION CONTAINING THE SAME | TAKEUCHI TSUTOMU | 2005-10-06 | — | — | JP | disclosed |