⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24112692 | 0.88 | ALDH1A1 (0.32) | — | |
| SCHEMBL24112708 | 0.77 | — | — | |
| SCHEMBL23835987 | 0.74 | — | — | |
| SCHEMBL24112704 | 0.71 | — | — | |
| SCHEMBL24112696 | 0.63 | — | — | |
| SCHEMBL24477645 | 0.62 | — | — | |
| SCHEMBL24112695 | 0.62 | — | — | |
| SCHEMBL24112705 | 0.61 | — | — | |
| SCHEMBL24112699 | 0.61 | — | — | |
| SCHEMBL5691863 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021252644-A1 | INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF | Pardes Biosciences, Inc. (US) | 2021-12-16 | — | — | WO | disclosed |
| US-7052885-B2 | Process for preparing heterocyclic (R)- and (S)-cyanohydrins | DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) | 2006-05-30 | — | — | US | disclosed |
| EP-1323830-B1 | Process for the preparation of heterocyclic (R)- et (S)-cyanohydrines | DSM FINE CHEM AUSTRIA GMBH (AT) | 2006-04-26 | — | — | EP | disclosed |
| US-20030129712-A1 | Process for preparing heterocyclic (R)- and (S)-cyanohydrins | DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) | 2003-07-10 | — | — | US | disclosed |
| EP-1323830-A2 | Process for the preparation of heterocyclic (R)- and (S)-cyanohydrines | DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) | 2003-07-02 | — | — | EP | disclosed |