⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6397913 | 0.94 | — | — | |
| SCHEMBL250800 | 0.87 | — | — | |
| SCHEMBL28649337 | 0.86 | TRIM24 (0.61) | — | |
| SCHEMBL5812857 | 0.86 | TRIM24 (0.56) | — | |
| SCHEMBL6400075 | 0.85 | TRIM24 (0.62) | — | |
| SCHEMBL28431028 | 0.82 | TRIM24 (0.65) | — | |
| SCHEMBL29108689 | 0.82 | TRIM24 (0.65) | — | |
| SCHEMBL28674264 | 0.82 | TRIM24 (0.65) | — | |
| SCHEMBL16417514 | 0.77 | TRIM24 (0.50) | — | |
| SCHEMBL1566776 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021044879-A1 | CURABLE COMPOSITION, FILM, OPTICAL FILM FOR LUMINESCENT DISPLAY ELEMENT, LUMINESCENT DISPLAY ELEMENT PANEL, AND LUMINESCENT DISPLAY DEVICE | 学校法人慶應義塾 | 2021-03-11 | — | — | WO | disclosed |
| US-4362875-A | Process for preparing (1-acylaminomethyl)-1,2,3,4-tetrahydroisoquinolines | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1982-12-07 | — | — | US | disclosed |