⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6904465 | 0.81 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL6907018 | 0.81 | HDAC1 (0.32) | — | |
| SCHEMBL6911165 | 0.80 | — | — | |
| SCHEMBL6911526 | 0.71 | MAOA (0.31) | — | |
| SCHEMBL2534287 | 0.71 | — | — | |
| SCHEMBL29049889 | 0.67 | SLC6A2 (0.35) | — | |
| SCHEMBL6905956 | 0.67 | MAPT (0.35) | — | |
| SCHEMBL820472 | 0.66 | PDCD1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL6910480 | 0.66 | — | — | |
| Hydrochloric Acid SCHEMBL28994366 | 0.65 | ACHE (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6790917-B2 | POLYMERIZING A VINYL COMPOUND IN PRESENCE OF A CATALYST OBTAINED BY COMBINING ORGANOTRANSITION METAL COMPOUND, AN ALUMINUM COMPUND OR ALUMOXANE AND A BORON COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2004-09-14 | — | — | US | disclosed |
| US-20020198340-A1 | Process for producing vinyl compound polymer | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2002-12-26 | — | — | US | disclosed |