⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10267353 | 0.81 | CYP2D6 (0.32) | — | |
| SCHEMBL1708842 | 0.81 | CYP2D6 (0.32) | — | |
| SCHEMBL10197388 | 0.81 | CYP2D6 (0.32) | — | |
| SCHEMBL24295006 | 0.77 | ATM (0.31) | — | |
| SCHEMBL21341548 | 0.77 | — | — | |
| SCHEMBL731727 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL23475073 | 0.77 | — | — | |
| SCHEMBL14297905 | 0.77 | — | — | |
| SCHEMBL13790345 | 0.77 | — | — | |
| SCHEMBL733216 | 0.77 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10597378-B2 | Tetrahydroisoquinolines for use as MOR/NOP dual agonists | NATIONAL HEALTH RESEARCH INSTITUTES (TW) | 2020-03-24 | — | — | US | disclosed |
| US-20190077786-A1 | HETEROCYCLIC COMPOUNDS AND USE THEREOF | NATIONAL HEALTH RESEARCH INSTITUTES (TW) | 2019-03-14 | — | — | US | disclosed |