⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7464404 | 1.00 | — | — | |
| SCHEMBL15888103 | 0.80 | — | — | |
| SCHEMBL12956128 | 0.80 | — | — | |
| SCHEMBL11782507 | 0.76 | PTPN1 (0.30) | — | |
| SCHEMBL11782502 | 0.76 | PTPN1 (0.30) | — | |
| SCHEMBL7460989 | 0.75 | — | — | |
| SCHEMBL10958248 | 0.75 | — | — | |
| SCHEMBL10958254 | 0.75 | — | — | |
| SCHEMBL7460979 | 0.75 | — | — | |
| SCHEMBL21518287 | 0.74 | ALDH1A1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0866068-B1 | PROCESS FOR THE PREPARATION OF BENZYL-METAL COMPOUNDS AND PROCESS FOR THE PREPARATION OF 4-PHENYL-1-BUTENES BY THE USE OF THE SAME | KI CHEMICAL INDUSTRY CO LTD (JP) | 2002-07-31 | — | — | EP | disclosed |
| US-6024897-A | Process for the preparation of benzyl-metal compounds and process for the preparation of 4-phenyl-1-butenes by the use of the same | K.sup.• I Chemical Industry Co., Ltd. (JP) | 2000-02-15 | — | — | US | disclosed |
| EP-0866068-A1 | PROCESS FOR THE PREPARATION OF BENZYL-METAL COMPOUNDS AND PROCESS FOR THE PREPARATION OF 4-PHENYL-1-BUTENES BY THE USE OF THE SAME | K I CHEMICAL INDUSTRY CO., LTD. (JP) | 1998-09-23 | — | — | EP | disclosed |