⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27555067 | 0.93 | — | — | |
| SCHEMBL953641 | 0.81 | — | — | |
| SCHEMBL306894 | 0.80 | — | — | |
| SCHEMBL10698482 | 0.78 | PTPN1 (0.38) | — | |
| SCHEMBL1052195 | 0.78 | PTPN1 (0.38) | — | |
| SCHEMBL1051645 | 0.78 | PTPN1 (0.38) | — | |
| SCHEMBL28905 | 0.78 | KDM1A (0.31) | — | |
| SCHEMBL10611358 | 0.78 | — | — | |
| SCHEMBL1051643 | 0.78 | PTPN1 (0.38) | — | |
| SCHEMBL7992399 | 0.76 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1106417-C | Polymerizable compositions based on epoxides | 3M ESPE GMBH (DE) | 2003-04-23 | — | — | CN | disclosed |
| CN-1209821-A | Polymerizable compositions based on epoxides | ESPE DENTAL GMBH (DE) | 1999-03-03 | — | — | CN | disclosed |