⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21599251 | 0.81 | DNM1 (0.45) | — | |
| SCHEMBL853104 | 0.78 | THRB (0.40) | — | |
| SCHEMBL15499249 | 0.77 | — | — | |
| SCHEMBL20344875 | 0.73 | ALDH1A1 (0.38) | — | |
| SCHEMBL15800643 | 0.72 | LPAR6 (0.36) | — | |
| SCHEMBL3032689 | 0.71 | CA1 (0.33) | — | |
| SCHEMBL11381692 | 0.71 | CA1 (0.33) | — | |
| SCHEMBL4425572 | 0.71 | CA1 (0.33) | — | |
| SCHEMBL20080406 | 0.70 | KISS1R (0.35) | — | |
| SCHEMBL25739013 | 0.70 | — | — |
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-20090306376-A1 | OPTICAL RECORDING MEDIUM AND COMPOUND USED FOR THE SAME | MITSUI CHEMICALS, INC. (JP) | 2009-12-10 | — | — | US | disclosed |
| US-20070054084-A1 | Optical recording medium and compound used for the same | MITSUI CHEMICALS, INC. (JP) | 2007-03-08 | — | — | US | disclosed |
| EP-1672626-A1 | OPTICAL RECORDING MEDIUM AND COMPOUND USED IN THE OPTICAL RECORDING MEDIUM | Mitsui Chemicals, Inc. (JP) | 2006-06-21 | — | — | EP | disclosed |
| EP-0404694-A2 | 4-hydroxy-8-methoxy-2-methyl-6, 7-methylenedioxy-1,2,3,4-tetrahydroisoquinoline, and process for preparing the same | MITSUBISHI KASEI CORPORATION (JP) | 1990-12-27 | — | — | EP | disclosed |
| EP-0387156-A2 | A process for preparing cotarnine | MITSUBISHI KASEI CORPORATION (JP) | 1990-09-12 | — | — | EP | disclosed |
| US-4769480-A | Benzylamine derivative | MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) | 1988-09-06 | — | — | US | disclosed |
| EP-0214051-A2 | Benzylamine derivative | MITSUBISHI KASEI CORPORATION (JP) | 1987-03-11 | — | — | EP | disclosed |