⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27304431 | 0.80 | — | — | |
| SCHEMBL565974 | 0.79 | CES2 (0.64) | — | |
| SCHEMBL13656482 | 0.79 | CES2 (0.56) | — | |
| SCHEMBL15818576 | 0.79 | CES2 (0.56) | — | |
| SCHEMBL15818574 | 0.79 | CES2 (0.56) | — | |
| SCHEMBL1379741 | 0.78 | CES2 (0.56) | — | |
| SCHEMBL11773483 | 0.78 | NOS1 (0.47) | — | |
| SCHEMBL5873384 | 0.77 | CES2 (0.61) | — | |
| SCHEMBL4196929 | 0.77 | CES2 (0.61) | — | |
| SCHEMBL14082103 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2496230-B1 | IRE-1 ALPHA INHIBITORS | FOSUN ORINOVE PHARMATECH INC (CN) | 2020-02-26 | — | — | EP | disclosed |
| US-9761803-B2 | Semiconductor composition | XEROX CORPORATION (US) | 2017-09-12 | — | — | US | disclosed |
| EP-3167886-A1 | COMPOSITIONS AND METHODS FOR TREATMENT OF MACULAR EDEMA | SARcode Bioscience Inc. (US) | 2017-05-17 | — | — | EP | disclosed |