⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19890781 | 0.83 | — | — | |
| SCHEMBL19878382 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL981922 | 0.77 | — | — | |
| SCHEMBL8770001 | 0.77 | — | — | |
| SCHEMBL8769406 | 0.75 | — | — | |
| SCHEMBL1985501 | 0.75 | — | — | |
| SCHEMBL11416433 | 0.73 | — | — | |
| SCHEMBL16472572 | 0.71 | CYP1A2 (0.30) | — | |
| SCHEMBL8770032 | 0.71 | — | — | |
| SCHEMBL39751 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998024315-A1 | PLANT VOLATILE ELICITOR FROM INSECTS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1998-06-11 | — | — | WO | claimed |
| CN-107556150-B | Synthetic method of sex pheromone of fall webworm | 上海有德化工科技有限公司 | 2021-07-20 | — | — | CN | disclosed |
| CN-107556150-A | A kind of synthetic method of fall webworm sex pheromone | 上海有德化工科技有限公司 | 2018-01-09 | — | — | CN | disclosed |
| US-6207712-B1 | Plant volatile elicitor from insects | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE | 2001-03-27 | — | — | US | disclosed |
| US-6054483-A | Plant volatile elicitor from insects | THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 2000-04-25 | — | — | US | disclosed |
| WO-1998024315-A1 | PLANT VOLATILE ELICITOR FROM INSECTS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) | 1998-06-11 | — | — | WO | disclosed |