⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7460989 | 1.00 | — | — | |
| SCHEMBL14524948 | 0.77 | — | — | |
| SCHEMBL3126990 | 0.76 | — | — | |
| SCHEMBL3126995 | 0.76 | — | — | |
| SCHEMBL15592126 | 0.76 | — | — | |
| SCHEMBL7576633 | 0.76 | — | — | |
| SCHEMBL7464404 | 0.75 | — | — | |
| SCHEMBL7464409 | 0.75 | — | — | |
| SCHEMBL10596082 | 0.74 | — | — | |
| SCHEMBL11065973 | 0.74 | — | — |
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 6 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 |
| US-4474983-A | Process for preparing compounds having a 1,5-dimethyl-hexa-1,5-dienylene group by desulphonylation of a corresponding sulphone | RHONE-POULENC S.A. (FR) | 1984-10-02 | — | — | US | disclosed |
| US-4433171-A | Sulphones having a 1,5-dimethyl-hexa-1,5-dienylene group | RHONE-POULENC S.A. (FR) | 1984-02-21 | — | — | US | disclosed |
| US-4331814-A | Sulphones having a 1,5-dimethyl-hexa-1,5-dienylene group | RHONE POULENC S.A. (FR) | 1982-05-25 | — | — | US | disclosed |