⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8091328 | 0.97 | — | — | |
| SCHEMBL8089923 | 0.96 | — | — | |
| SCHEMBL8095042 | 0.96 | — | — | |
| SCHEMBL7202636 | 0.77 | — | — | |
| SCHEMBL8089932 | 0.76 | — | — | |
| SCHEMBL8091507 | 0.73 | — | — | |
| SCHEMBL8094416 | 0.72 | — | — | |
| SCHEMBL8097731 | 0.72 | — | — | |
| SCHEMBL7198351 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL6560403 | 0.64 | GPR3 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6139484-A | A CHEMICAL INTERMEDIATE FOR THE HYDROGENATION PROCESS OF THE COMPLEX WITH ZIRCONIUM TO FORM A POLYMERIZATION CATALYST | ENICHEM S.P.A. (IT) | 2000-10-31 | — | — | US | disclosed |