⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7823732 | 0.86 | PDK2 (0.42) | — | |
| SCHEMBL7827148 | 0.85 | PDK2 (0.35) | — | |
| SCHEMBL7823198 | 0.83 | PDK2 (0.33) | — | |
| SCHEMBL7827247 | 0.81 | PDK2 (0.36) | — | |
| SCHEMBL7826590 | 0.80 | LTA4H (0.34) | — | |
| SCHEMBL7822891 | 0.80 | CYP1A2 (0.38) | — | |
| SCHEMBL7826981 | 0.80 | DDB1 (0.31) | — | |
| SCHEMBL7828606 | 0.78 | PRKCA (0.40) | — | |
| SCHEMBL7827899 | 0.78 | PRKCA (0.40) | — | |
| SCHEMBL7823082 | 0.76 | DAO (0.31) | — |
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 5 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 |
| CN-1114431-A | Carboxylate and heat-sensitive recording material using same | MITSUI TOATSU CHEMICALS (JP) | 1996-01-03 | — | — | CN | disclosed |
| EP-0679640-A1 | Carboxylate and heat-sensitive recording material using same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1995-11-02 | — | — | EP | disclosed |