⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9077588 | 0.79 | ALDH1A1 (0.34) | — | |
| SCHEMBL779294 | 0.77 | — | — | |
| SCHEMBL4256530 | 0.74 | — | — | |
| SCHEMBL1867473 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL9183806 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL4258303 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL4256518 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL127087 | 0.71 | — | — | |
| SCHEMBL9077594 | 0.67 | ALDH1A1 (0.39) | — | |
| SCHEMBL8744938 | 0.67 | — | — |
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-0534257-B1 | Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof | MITSUI TOATSU CHEMICALS (JP) | 1997-03-12 | — | — | EP | disclosed |
| US-5306688-A | Color-forming, electron donating compound and electron accepting compound; storage stability of uncolored portion | MITSUI TOATSU CHEMICALS, INC. (JP) | 1994-04-26 | — | — | US | disclosed |
| EP-0534257-A1 | Salicylic acid derivatives, the process for preparing the same and the heat-sensitive recording materials comprising thereof | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1993-03-31 | — | — | EP | disclosed |