⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL436748 | 0.98 | — | — | |
| SCHEMBL1713184 | 0.81 | — | — | |
| SCHEMBL3206075 | 0.77 | — | — | |
| SCHEMBL14955824 | 0.77 | SLC6A2 (0.30) | — | |
| SCHEMBL28950124 | 0.75 | — | — | |
| SCHEMBL7667267 | 0.75 | — | — | |
| SCHEMBL8387816 | 0.74 | HDAC1 (0.36) | — | |
| SCHEMBL9936104 | 0.73 | — | — | |
| SCHEMBL8341749 | 0.73 | SLC22A6 (0.36) | — | |
| SCHEMBL27570007 | 0.73 | CA2 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230106817-A1 | SILICA-REINFORCED RUBBER COMPOSITIONS AND ARTICLES MADE THEREFROM | MOMENTIVE PERFORMANCE MATERIALS INC. (US) | 2023-04-06 | — | — | US | disclosed |
| US-9328176-B2 | Functional styrene-butadiene copolymer | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2016-05-03 | — | — | US | disclosed |
| US-20110098404-A1 | FUNCTIONAL STYRENE-BUTADIENE COPOLYMER | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2011-04-28 | — | — | US | disclosed |