⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7744006 | 1.00 | — | — | |
| SCHEMBL2569752 | 0.82 | — | — | |
| SCHEMBL8150538 | 0.82 | — | — | |
| SCHEMBL10501974 | 0.78 | — | — | |
| SCHEMBL11918301 | 0.78 | — | — | |
| SCHEMBL8145294 | 0.77 | MGAM (0.41) | — | |
| SCHEMBL8145290 | 0.77 | MGAM (0.41) | — | |
| SCHEMBL12572575 | 0.76 | ALDH1A1 (0.47) | — | |
| SCHEMBL18868445 | 0.76 | ALDH1A1 (0.47) | — | |
| SCHEMBL536946 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-4202133-A | — | — | None | — | — | JP | disclosed |
| JP-56139434-A | — | — | None | — | — | JP | disclosed |
| JP-2002241337-A | METHOD OF PRODUCING 6-METHYL-4,6-HEPTADIENE-2-ONE AND 3,7-DIMETHYL-1,5,7-OCTATRIENE-3-OL | SODA AROMATIC CO LTD | 2002-08-28 | — | — | JP | disclosed |
| EP-0380669-B1 | ISOPRENOID DERIVATIVES AND PHARMACEUTICAL PREPARATION CONTAINING SAME | TERUMO CORP (JP) | 1994-03-23 | — | — | EP | disclosed |
| JP-H04202133-A | HEPATOPATHY-TREATING MEDICINE | TERUMO CORP | 1992-07-22 | — | — | JP | disclosed |
| US-5130483-A | Antiulcer agents and enzyme inhibitors | TERUMO KABUSHIKI KAISHA (JP) | 1992-07-14 | — | — | US | disclosed |
| EP-0380669-A1 | ISOPRENOID DERIVATIVES AND PHARMACEUTICAL PREPARATION CONTAINING SAME | TERUMO KABUSHIKI KAISHA (JP) | 1990-08-08 | — | — | EP | disclosed |
| JP-S56139434-A | PREPARATION OF 3,7-DIMETHYL-1,5,7-OCTATRIEN-3-OL | T HASEGAWA CO LTD | 1981-10-30 | — | — | JP | disclosed |