⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8919145 | 0.83 | — | — | |
| SCHEMBL8919959 | 0.82 | ALDH1A1 (0.34) | — | |
| SCHEMBL8922193 | 0.79 | CYP1A2 (0.38) | — | |
| SCHEMBL7828597 | 0.79 | IGF1R (0.30) | — | |
| SCHEMBL8919366 | 0.77 | PDK2 (0.34) | — | |
| SCHEMBL8918266 | 0.77 | PDE5A (0.36) | — | |
| SCHEMBL8919048 | 0.77 | PDE5A (0.36) | — | |
| SCHEMBL7827278 | 0.77 | IGF1R (0.31) | — | |
| SCHEMBL8917949 | 0.76 | BRD4 (0.32) | — | |
| SCHEMBL8917808 | 0.73 | SLC6A2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |