⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8616098 | 1.00 | — | — | |
| Biphenyl SCHEMBL811459 | 0.83 | — | — | |
| SCHEMBL9943394 | 0.82 | ALDH1A1 (0.31) | — | |
| SCHEMBL8852753 | 0.80 | — | — | |
| SCHEMBL7155538 | 0.80 | MAPT (0.31) | — | |
| SCHEMBL7155534 | 0.80 | MAPT (0.31) | — | |
| Hydrochloric Acid SCHEMBL17479390 | 0.73 | HTR2A (0.33) | — | |
| SCHEMBL6855505 | 0.72 | GPR3 (0.31) | — | |
| SCHEMBL813803 | 0.72 | POLB (0.33) | — | |
| SCHEMBL812998 | 0.72 | GPR3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0485893-B1 | Bulk polymerisation with metallocene catalyst for the preparation of cycloolefin polymers | TICONA GMBH (DE) | 1998-04-22 | — | — | EP | claimed |