⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8458204 | 0.72 | ESR1 (0.33) | — | |
| SCHEMBL4958069 | 0.65 | KDM4E (0.39) | — | |
| SCHEMBL8811100 | 0.60 | ESR1 (0.42) | — | |
| SCHEMBL28830766 | 0.60 | TSHR (0.38) | — | |
| SCHEMBL9301591 | 0.59 | ALDH1A1 (0.43) | — | |
| SCHEMBL15535190 | 0.59 | KDM4E (0.43) | — | |
| SCHEMBL29381656 | 0.58 | ALDH1A1 (0.48) | — | |
| SCHEMBL627326 | 0.58 | ALDH1A1 (0.48) | — | |
| SCHEMBL5071748 | 0.58 | — | — | |
| SCHEMBL16954203 | 0.57 | MEN1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0575816-B1 | Light-absorbing compound and optical recording medium containing same | MITSUI CHEMICALS INC (JP) | 1999-09-22 | — | — | EP | disclosed |
| US-5446142-A | Having one or more alkyl-or alkylenyloxy substituents; accuracy; high density and high speed recording; lasers; sensitivity; storage stability | MITSUI TOATSU CHEMICALS, INC. (JP) | 1995-08-29 | — | — | US | disclosed |
| EP-0575816-A1 | Light-absorbing compound and optical recording medium containing same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-12-29 | — | — | EP | disclosed |