⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8492648 | 0.86 | — | — | |
| SCHEMBL8493172 | 0.86 | PLA2G1B (0.32) | — | |
| SCHEMBL8491251 | 0.85 | — | — | |
| SCHEMBL8493921 | 0.82 | SIGMAR1 (0.33) | — | |
| SCHEMBL8492462 | 0.81 | MMP13 (0.33) | — | |
| SCHEMBL8490784 | 0.77 | — | — | |
| SCHEMBL8490203 | 0.76 | PLA2G1B (0.32) | — | |
| SCHEMBL8494447 | 0.74 | — | — | |
| SCHEMBL25956444 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL20374734 | 0.72 | TSHR (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0676237-B1 | Modified ion exchange resins and use thereof | MITSUBISHI CHEM CORP (JP) | 1999-03-17 | — | — | EP | disclosed |
| US-5589517-A | N,N-DI-SUBSTITITUTED MERCAPTOALKYLAMINE SULFONIC ACID ION EXCHANGE RESIN AS CATALYST FOR CONDENSATION REACTION OF A PHENOL AND A KETONE TO PRODUCE A BISPHENOL | MITSUBISHI CHEMICAL CORPORATION (JP) | 1996-12-31 | — | — | US | disclosed |
| EP-0676237-A1 | Modified ion exchange resins and use thereof | MITSUBISHI CHEMICAL CORPORATION (JP) | 1995-10-11 | — | — | EP | disclosed |