⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL69910 | 0.85 | — | — | |
| SCHEMBL329299 | 0.82 | — | — | |
| SCHEMBL30279 | 0.80 | — | — | |
| Silver SCHEMBL30466745 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL31412008 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL29010314 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL11375340 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL656015 | 0.78 | CHRM1 (0.36) | — | |
| SCHEMBL157028 | 0.77 | — | — | |
| SCHEMBL11000750 | 0.76 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230125280-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | CYTOKINETICS, INCORPORATED | 2023-04-27 | — | — | US | disclosed |
| US-20180148458-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | ASTELLAS PHARMA INC. (JP) | 2018-05-31 | — | — | US | disclosed |
| US-9914741-B2 | Tetrahydroisoquinoline derivatives | ASTELLAS PHARMA INC. (JP) | 2018-03-13 | — | — | US | disclosed |
| US-20170233402-A1 | TETRAHYDROISOQUINOLINE DERIVATIVES | ASTELLAS PHARMA INC. (JP) | 2017-08-17 | — | — | US | disclosed |
| US-5939428-A | ANTITUMOR AGENTS AND ANTIGROWTH AGENTS FOR CELLS | NATIONAL HEALTH RESEARCH INSTITUTES (TW) | 1999-08-17 | — | — | US | disclosed |
| US-5354864-A | Antitumor agents | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1994-10-11 | — | — | US | disclosed |
| WO-1993023049-A1 | 3-(9-ACRIDINYLAMINO)-5-HYDROXYMETHYLANILINE DERIVATIVES AS ANTICANCER AGENTS | SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) | 1993-11-25 | — | — | WO | disclosed |