⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9397859 | 0.89 | — | — | |
| SCHEMBL6047591 | 0.75 | SPHK1 (0.33) | — | |
| SCHEMBL1053326 | 0.68 | MAOA (0.30) | — | |
| SCHEMBL1053328 | 0.68 | MAOA (0.30) | — | |
| SCHEMBL5603642 | 0.68 | — | — | |
| SCHEMBL6047644 | 0.67 | — | — | |
| SCHEMBL7483786 | 0.65 | MAOA (0.33) | — | |
| SCHEMBL9938829 | 0.65 | — | — | |
| SCHEMBL2761632 | 0.65 | — | — | |
| SCHEMBL7845670 | 0.64 | — | — |
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-2017204936-A1 | PRODUCTION OF CYCLIC IMIDES SUITABLE FOR OXIDATION CATALYSIS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2017-11-30 | — | — | WO | disclosed |
| WO-2005037839-A1 | NORCANTHARIDIN DERIVATIVE COMPOUNDS, METHOD FOR THE PRODUCTION THEREOF, COMPOSITIONS CONTAINING SAID COMPOUNDS AND THE USE THEREOF | ENTOMED (FR) | 2005-04-28 | — | — | WO | disclosed |
| US-4970022-A | ISOTHIOCYANATES | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1990-11-13 | — | — | US | disclosed |