⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL622620 | 0.98 | — | — | |
| SCHEMBL8722271 | 0.80 | ALDH1A1 (0.39) | — | |
| SCHEMBL2729930 | 0.78 | MAPT (0.40) | — | |
| SCHEMBL5333184 | 0.75 | — | — | |
| SCHEMBL10060810 | 0.75 | HSP90AB1 (0.31) | — | |
| SCHEMBL12853904 | 0.73 | — | — | |
| SCHEMBL19825216 | 0.73 | — | — | |
| SCHEMBL19825285 | 0.70 | — | — | |
| SCHEMBL461534 | 0.70 | — | — | |
| SCHEMBL1680480 | 0.70 | — | — |
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-20060172881-A1 | Method of spatially controlling catalysis of a chemical reaction | BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY, THE | 2006-08-03 | — | — | US | claimed |
| WO-2025229195-A1 | RADIOLABELLED COMPOUNDS | IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) | 2025-11-06 | — | — | WO | disclosed |
| WO-2023178378-A1 | MIP INHIBITORS | DMTC Limited (AU) | 2023-09-28 | — | — | WO | disclosed |