⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6400773 | 0.72 | PTPN1 (0.36) | — | |
| SCHEMBL6402591 | 0.71 | PTPN1 (0.35) | — | |
| SCHEMBL6400706 | 0.69 | PTPN1 (0.33) | — | |
| SCHEMBL8857527 | 0.68 | GPR3 (0.38) | — | |
| SCHEMBL29979921 | 0.68 | GPR3 (0.33) | — | |
| SCHEMBL7542082 | 0.68 | GPR3 (0.33) | — | |
| SCHEMBL6406642 | 0.68 | PTPN1 (0.34) | — | |
| SCHEMBL6129625 | 0.67 | HTR6 (0.39) | — | |
| Hydrochloric Acid SCHEMBL911102 | 0.67 | GPR3 (0.32) | — | |
| SCHEMBL6401039 | 0.67 | MEN1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6465667-B2 | AS LIGANDS FOR METALLOCENE OLEFIN POLYMERIZATION CATALYSTS | BOULDER SCIENTIFIC COMPANY | 2002-10-15 | — | — | US | disclosed |
| US-20020099231-A1 | Synthesis and isomerization of 1,2-bis (indenyl) ethanes | BOULDER SCIENTIFIC COMPANY | 2002-07-25 | — | — | US | disclosed |