⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL797108 | 0.79 | — | — | |
| SCHEMBL1949520 | 0.73 | — | — | |
| Benzene SCHEMBL2240485 | 0.69 | — | — | |
| SCHEMBL4301623 | 0.65 | — | — | |
| SCHEMBL29163752 | 0.63 | NOTUM (0.37) | — | |
| SCHEMBL14783032 | 0.62 | — | — | |
| SCHEMBL21527922 | 0.62 | — | — | |
| SCHEMBL561949 | 0.62 | PIM1 (0.33) | — | |
| SCHEMBL1949490 | 0.62 | MEN1 (0.33) | — | |
| SCHEMBL29367291 | 0.62 | CYP1A2 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8198378-B2 | Aromatic organosulfur functionalized 1,4-cis polybutadiene | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2012-06-12 | — | — | US | claimed |
| US-20110136956-A1 | 1,4-CIS-POLYBUTADIENE FUNCTIONALIZED WITH ORGANOSULFUR COMPOUND FOR PREPARATION OF GOLF BALL CORE | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2011-06-09 | — | — | US | claimed |
| US-20090156751-A1 | Aromatic Organosulfur Functionalized 1,4-cis Polybutadiene | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2009-06-18 | — | — | US | claimed |
| US-8552120-B2 | Grafted and functionalized high 1,4-trans polybutadiene with aromatic organosulfur compound | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2013-10-08 | — | — | US | disclosed |
| US-8198378-B2 | Aromatic organosulfur functionalized 1,4-cis polybutadiene | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2012-06-12 | — | — | US | disclosed |
| US-20110136956-A1 | 1,4-CIS-POLYBUTADIENE FUNCTIONALIZED WITH ORGANOSULFUR COMPOUND FOR PREPARATION OF GOLF BALL CORE | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2011-06-09 | — | — | US | disclosed |
| US-20100081770-A1 | GRAFTED AND FUNCTIONALIZED HIGH 1,4-TRANS POLYBUTADIENE WITH AROMATIC ORGANOSULFUR COMPOUND | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2010-04-01 | — | — | US | disclosed |
| US-20090156751-A1 | Aromatic Organosulfur Functionalized 1,4-cis Polybutadiene | KOREA KUMHO PETROCHEMICAL CO., LTD. (KR) | 2009-06-18 | — | — | US | disclosed |