⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6017979 | 0.98 | — | — | |
| SCHEMBL715176 | 0.92 | — | — | |
| SCHEMBL11863151 | 0.89 | SIGMAR1 (0.32) | — | |
| SCHEMBL2528409 | 0.87 | MAOA (0.31) | — | |
| SCHEMBL1278624 | 0.83 | — | — | |
| SCHEMBL3450884 | 0.83 | HTR2A (0.30) | — | |
| SCHEMBL3585941 | 0.80 | CA2 (0.33) | — | |
| SCHEMBL2971183 | 0.80 | KCNH2 (0.46) | — | |
| SCHEMBL6557088 | 0.80 | — | — | |
| SCHEMBL151723 | 0.80 | KCNH2 (0.46) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2476710-B1 | METHOD FOR PRODUCING POLYBUTADIENE | NIPPON SODA CO (JP) | 2015-03-18 | — | — | EP | disclosed |
| US-20120202910-A1 | METHOD FOR PRODUCING POLYBUTADIENE | NIPPON SODA CO., LTD. (JP) | 2012-08-09 | — | — | US | disclosed |
| EP-2476710-A1 | METHOD FOR PRODUCING POLYBUTADIENE | Nippon Soda Co., Ltd. (JP) | 2012-07-18 | — | — | EP | disclosed |
| US-7066969-B2 | Dyes incorporating annionic and cationic groups | CIBA SPECIALTY CHEMICALS CORPORATION (US) | 2006-06-27 | — | — | US | disclosed |
| US-20040205912-A1 | Dyes incorporating annionic and cationic groups | CIBA SPECIALTY CHEMICALS CORP. | 2004-10-21 | — | — | US | disclosed |
| EP-1442082-A1 | DYES INCORPORATING ANIONIC AND CATIONIC GROUPS | Ciba SC Holding AG (CH) | 2004-08-04 | — | — | EP | disclosed |
| WO-2003099242-A1 | COSMETIC AGENTS CONTAINING PROTEIN DISULFIDE ISOMERASE | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2003-12-04 | — | — | WO | disclosed |
| WO-2003099243-A1 | COSMETIC AGENTS CONTAINING PROTEIN DISULFIDE ISOMERASE | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2003-12-04 | — | — | WO | disclosed |
| WO-2003010239-A1 | DYES INCORPORATING ANIONIC AND CATIONIC GROUPS | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2003-02-06 | — | — | WO | disclosed |