⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8918900 | 0.83 | — | — | |
| SCHEMBL8919413 | 0.81 | — | — | |
| SCHEMBL8921082 | 0.80 | PDE7A (0.32) | — | |
| SCHEMBL8922881 | 0.80 | ORAI1 (0.30) | — | |
| SCHEMBL8918980 | 0.77 | DDB1 (0.30) | — | |
| SCHEMBL8919759 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL8919595 | 0.75 | — | — | |
| SCHEMBL8919829 | 0.73 | — | — | |
| SCHEMBL8920301 | 0.73 | — | — | |
| SCHEMBL8919199 | 0.72 | CA2 (0.32) | — |
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 |