⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20674814 | 0.87 | DPP4 (0.32) | — | |
| Methylene Chloride SCHEMBL20661254 | 0.85 | DPP4 (0.30) | — | |
| SCHEMBL20661253 | 0.82 | BACE1 (0.32) | — | |
| SCHEMBL20661230 | 0.79 | UCHL3 (0.31) | — | |
| SCHEMBL20661245 | 0.79 | — | — | |
| SCHEMBL20739359 | 0.78 | — | — | |
| SCHEMBL20739358 | 0.77 | BACE1 (0.32) | — | |
| SCHEMBL22021445 | 0.74 | DPP4 (0.32) | — | |
| SCHEMBL22021443 | 0.72 | DPP4 (0.30) | — | |
| SCHEMBL20661219 | 0.67 | RAD52 (0.31) | — |
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-10781213-B2 | Methods for preparing bis-tetrahydroisoquinoline-containing compounds | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2020-09-22 | — | — | US | disclosed |
| US-20190048009-A1 | Methods for Preparing Bis-Tetrahydroisoquinoline-Containing Compounds | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2019-02-14 | — | — | US | disclosed |