⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17357050 | 0.88 | ATM (0.33) | — | |
| SCHEMBL14720464 | 0.82 | TSHR (0.41) | — | |
| SCHEMBL16505100 | 0.80 | KMT2A (0.37) | — | |
| SCHEMBL16522913 | 0.79 | KDM4E (0.31) | — | |
| SCHEMBL14734583 | 0.79 | CA1 (0.33) | — | |
| SCHEMBL16504539 | 0.77 | MCL1 (0.31) | — | |
| SCHEMBL8319536 | 0.77 | — | — | |
| SCHEMBL15307713 | 0.72 | MMP2 (0.43) | — | |
| SCHEMBL16504401 | 0.72 | TSHR (0.41) | — | |
| SCHEMBL8814744 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11840541-B2 | Opioid receptor modulators | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2023-12-12 | — | — | US | disclosed |
| US-20230271976-A1 | OPIOID RECEPTOR MODULATORS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2023-08-31 | — | — | US | disclosed |
| US-20170334923-A1 | OPIOID RECEPTOR MODULATORS | THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) | 2017-11-23 | — | — | US | disclosed |