⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11036728 | 0.84 | ALDH1A1 (0.37) | — | |
| SCHEMBL26027 | 0.77 | — | — | |
| SCHEMBL6047446 | 0.75 | — | — | |
| SCHEMBL28286384 | 0.75 | — | — | |
| Water SCHEMBL28352114 | 0.75 | — | — | |
| SCHEMBL28952474 | 0.75 | — | — | |
| SCHEMBL27571660 | 0.75 | — | — | |
| SCHEMBL5480826 | 0.75 | — | — | |
| Acetic Acid SCHEMBL27588750 | 0.73 | FFAR3 (0.33) | — | |
| Water SCHEMBL28067781 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-102993825-A | Ink for ink jet | DALIAN JUNLE PRINTING PACKAGE CO LTD | 2013-03-27 | — | — | CN | disclosed |
| WO-1998046593-A1 | NOVEL CARBOSTYRIL DERIVATIVE | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1998-10-22 | — | — | WO | disclosed |