⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL458309 | 1.00 | — | — | |
| SCHEMBL19348074 | 0.79 | TRPA1 (0.42) | — | |
| SCHEMBL1457345 | 0.79 | TRPA1 (0.42) | — | |
| SCHEMBL467841 | 0.77 | — | — | |
| SCHEMBL9740049 | 0.76 | — | — | |
| SCHEMBL10817181 | 0.76 | MITF (0.33) | — | |
| SCHEMBL5807176 | 0.74 | — | — | |
| SCHEMBL1445277 | 0.74 | — | — | |
| SCHEMBL7313571 | 0.74 | — | — | |
| SCHEMBL28086 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011009059-A2 | METHOD OF TREATING OR PREVENTING CANCER | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2011-01-20 | — | — | WO | claimed |
| WO-2011009059-A2 | METHOD OF TREATING OR PREVENTING CANCER | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 2011-01-20 | — | — | WO | disclosed |
| US-4680301-A | 6-isothiocyanato-2,5-substituted benzothiazoles or benzoxazoles useful as anthelmintic effective agents | CIBA-GEIGY CORPORATION (US) | 1987-07-14 | — | — | US | disclosed |