⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12719216 | 0.62 | — | — | |
| SCHEMBL20663372 | 0.59 | — | — | |
| SCHEMBL10055778 | 0.59 | — | — | |
| SCHEMBL8108596 | 0.57 | — | — | |
| SCHEMBL20707635 | 0.57 | — | — | |
| SCHEMBL15057712 | 0.56 | — | — | |
| SCHEMBL8228986 | 0.55 | — | — | |
| SCHEMBL3673036 | 0.55 | — | — | |
| SCHEMBL3675466 | 0.55 | — | — | |
| SCHEMBL3667302 | 0.53 | ALDH1A1 (0.32) | — |
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-2604591-A1 | PROCESS FOR PREPARING AMINOADAMANTYL CARBAMATE DERIVATIVES | Shionogi&Co., Ltd. (JP) | 2013-06-19 | — | — | EP | disclosed |
| US-20100035892-A1 | METHOD FOR ASSEMBLING HIGH-PURITY CHEMICAL LIBRARIES, COMPOUNDS SUPPRESSING ACETYL COENZYME A CARBOXYLASE ACTIVITIES DISCOVERED BY SAME | THE UNIVERSITY OF CHICAGO | 2010-02-11 | — | — | US | disclosed |