⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6437849 | 0.78 | LPAR3 (0.40) | — | |
| SCHEMBL8852659 | 0.77 | LPAR2 (0.30) | — | |
| SCHEMBL8852654 | 0.77 | LPAR2 (0.30) | — | |
| SCHEMBL6450125 | 0.73 | F7 (0.36) | — | |
| Boric Acid SCHEMBL28274028 | 0.72 | CYP1A2 (0.40) | — | |
| SCHEMBL517587 | 0.71 | CYP1A2 (0.36) | — | |
| SCHEMBL17652427 | 0.70 | FAAH (0.38) | — | |
| SCHEMBL9011700 | 0.68 | TSHR (0.36) | — | |
| SCHEMBL6450122 | 0.68 | TSHR (0.36) | — | |
| SCHEMBL2251691 | 0.67 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1230207-B1 | METATHESIS SYNTHESES OF PHEROMONES OR THEIR COMPONENTS | PEDERSON RICHARD L (US) | 2005-06-22 | — | — | EP | disclosed |
| US-6696597-B2 | CROSS-METATHESIZING A TERMINAL OLEFIN AND INTERNAL OLEFIN IN PRESENCE OF CATALYST, TO FORM METATHESIS PRODUCT AND A SIDE PRODUCT; APPLYING CONDITIONS OF SUFFICIENTLY HIGH TEMPERATURE AND/OR LOW PRESSURE TO EVAPORTE SIDE PRODUCT | TILLIECHEM, INC. | 2004-02-24 | — | — | US | disclosed |
| EP-1230207-A2 | METATHESIS SYNTHESES OF PHEROMONES OR THEIR COMPONENTS | Pederson, Richard L. (US) | 2002-08-14 | — | — | EP | disclosed |
| US-20020022741-A1 | Metathesis syntheses of pheromones or their components | MATERIA, INC. | 2002-02-21 | — | — | US | disclosed |
| WO-2001036368-A2 | METATHESIS SYNTHESES OF PHEROMONES OR THEIR COMPONENTS | PEDERSON RICHARD L (US) | 2001-05-25 | — | — | WO | disclosed |