⚠ 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 | 0.75 | — | — | |
| SCHEMBL20661271 | 0.73 | — | — | |
| SCHEMBL16419623 | 0.67 | PREP (0.33) | — | |
| SCHEMBL17810265 | 0.67 | DUT (0.31) | — | |
| SCHEMBL20661245 | 0.64 | — | — | |
| SCHEMBL17781688 | 0.63 | DUT (0.30) | — | |
| SCHEMBL31133037 | 0.62 | LMNA (0.37) | — | |
| SCHEMBL16419648 | 0.61 | IDO1 (0.33) | — | |
| SCHEMBL10419776 | 0.60 | SLC2A1 (0.41) | — | |
| SCHEMBL2905775 | 0.60 | RAB9A (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-10781213-B2 | Methods for preparing bis-tetrahydroisoquinoline-containing compounds | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2020-09-22 | — | — | US | disclosed |
| US-10781213-B2 | Methods for preparing bis-tetrahydroisoquinoline-containing compounds | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2020-09-22 | — | — | US | disclosed |
| US-20200157102-A1 | Methods for Preparing Bis-Tetrahydroisoquinoline-Containing Compounds | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2020-05-21 | — | — | US | disclosed |
| US-20190048009-A1 | Methods for Preparing Bis-Tetrahydroisoquinoline-Containing Compounds | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2019-02-14 | — | — | US | disclosed |
| WO-2019018539-A1 | METHODS FOR PREPARING BIS-TETRAHYDROISOQUINOLINE-CONTAINING COMPOUNDS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2019-01-24 | — | — | WO | disclosed |