⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28334005 | 0.66 | — | — | |
| SCHEMBL17713603 | 0.62 | KDM4E (0.31) | — | |
| SCHEMBL24445927 | 0.61 | PIM1 (0.32) | — | |
| SCHEMBL7996760 | 0.61 | — | — | |
| SCHEMBL7825990 | 0.60 | CA1 (0.32) | — | |
| SCHEMBL16099127 | 0.60 | — | — | |
| SCHEMBL9244147 | 0.56 | — | — | |
| SCHEMBL10932545 | 0.56 | CA1 (0.35) | — | |
| SCHEMBL15561404 | 0.56 | S100A4 (0.30) | — | |
| SCHEMBL10884969 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113461673-A | Compound and application thereof | 北京鼎材科技有限公司 | 2021-10-01 | — | — | CN | disclosed |
| 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 |