⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28656019 | 0.89 | IDO1 (0.44) | — | |
| SCHEMBL28656020 | 0.89 | IDO1 (0.44) | — | |
| SCHEMBL11410252 | 0.73 | IDO1 (0.58) | — | |
| SCHEMBL1149394 | 0.73 | IDO1 (0.58) | — | |
| SCHEMBL11288839 | 0.73 | CYP1A2 (0.68) | — | |
| SCHEMBL143961 | 0.73 | CYP1A2 (0.68) | — | |
| SCHEMBL9141118 | 0.73 | IDO1 (0.50) | — | |
| SCHEMBL5188672 | 0.71 | — | — | |
| SCHEMBL5497395 | 0.71 | IDO1 (0.55) | — | |
| SCHEMBL40574 | 0.71 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114437273-B | Preparation method of butyl rubber | 中国石油天然气股份有限公司 | 2023-07-25 | — | — | CN | disclosed |
| WO-2018150043-A1 | METALLATED BENZYLSILANES AND THEIR USE AS POLYMERIZATION INITIATORS | TRINSEO EUROPE GMBH (CH) | 2018-08-23 | — | — | WO | disclosed |
| EP-3363804-A1 | METALLATED BENZYLSILANES AND THEIR USE AS POLYMERIZATION INITIATORS | Trinseo Europe GmbH (CH) | 2018-08-22 | — | — | EP | disclosed |
| EP-1097118-B1 | ALKYLATION PROCESS | ALBEMARLE CORP (US) | 2003-07-30 | — | — | EP | disclosed |
| EP-1097118-A1 | ALKYLATION PROCESS | ALBEMARLE CORPORATION (US) | 2001-05-09 | — | — | EP | disclosed |
| US-6100437-A | ALKYLATION IS CARRIED OUT AT A LOWER TEMPERATURE AND A MIXED SODIUM-POTASSIUM CATALYST IS USED AT A HIGHER CONCENTRATION THAN HERETOFORE; INSOLUBLE TAR IS VISUALLY UNDETECTABLE, AND THE PRESENCE OF COLORED SOLUBLE BYPRODUCTS IS REDUCED | ALBEMARLE CORPORATION (US) | 2000-08-08 | — | — | US | disclosed |
| WO-2000002835-A1 | ALKYLATION PROCESS | ALBEMARLE CORPORATION (US) | 2000-01-20 | — | — | WO | disclosed |