⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20661273 | 0.86 | — | — | |
| SCHEMBL20661239 | 0.84 | — | — | |
| SCHEMBL20675512 | 0.73 | — | — | |
| SCHEMBL20661245 | 0.70 | — | — | |
| SCHEMBL20739365 | 0.66 | — | — | |
| SCHEMBL20661219 | 0.56 | RAD52 (0.31) | — | |
| SCHEMBL2463236 | 0.54 | MAPT (0.32) | — | |
| SCHEMBL12191689 | 0.53 | CRHBP (0.41) | — | |
| SCHEMBL8974498 | 0.53 | MAOA (0.31) | — | |
| SCHEMBL7706095 | 0.53 | ACHE (0.48) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3655379-B1 | METHODS FOR PREPARING BIS-TETRAHYDROISOQUINOLINE-CONTAINING COMPOUNDS | CALIFORNIA INST OF TECHN (US) | 2023-04-05 | — | — | EP | disclosed |
| US-10781213-B2 | Methods for preparing bis-tetrahydroisoquinoline-containing compounds | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2020-09-22 | — | — | US | disclosed |
| EP-3655379-A1 | METHODS FOR PREPARING BIS-TETRAHYDROISOQUINOLINE-CONTAINING COMPOUNDS | California Institute of Technology (US) | 2020-05-27 | — | — | EP | disclosed |
| US-20200157102-A1 | Methods for Preparing Bis-Tetrahydroisoquinoline-Containing Compounds | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2020-05-21 | — | — | US | disclosed |
| WO-2019018539-A1 | METHODS FOR PREPARING BIS-TETRAHYDROISOQUINOLINE-CONTAINING COMPOUNDS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2019-01-24 | — | — | WO | disclosed |