⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7827110 | 0.82 | — | — | |
| SCHEMBL7830178 | 0.80 | CA1 (0.46) | — | |
| SCHEMBL7826077 | 0.77 | ELANE (0.33) | — | |
| SCHEMBL7815949 | 0.76 | PDK2 (0.46) | — | |
| SCHEMBL9324951 | 0.73 | CA1 (0.38) | — | |
| SCHEMBL7824672 | 0.73 | — | — | |
| SCHEMBL7817075 | 0.72 | LMNA (0.40) | — | |
| SCHEMBL7823833 | 0.72 | CYP1A2 (0.44) | — | |
| SCHEMBL9325025 | 0.72 | PDK2 (0.34) | — | |
| SCHEMBL8204919 | 0.71 | PDK2 (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0679640-B1 | Carboxylate and heat-sensitive recording material using same | MITSUI CHEMICALS INC (JP) | 2001-08-08 | — | — | EP | disclosed |
| US-5691272-A | Carboxylate and heat-sensitive recording material using same | MITSUI TOATSU CHEMICALS, INC. (JP) | 1997-11-25 | — | — | US | disclosed |
| US-5559247-A | Carboxylate and heat-sensitive recording material using same | MITSUI TOATSU CHEMICALS, INC. (JP) | 1996-09-24 | — | — | US | disclosed |
| EP-0679640-A1 | Carboxylate and heat-sensitive recording material using same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1995-11-02 | — | — | EP | disclosed |