⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19204519 | 0.78 | — | — | |
| SCHEMBL18633177 | 0.74 | — | — | |
| SCHEMBL20171695 | 0.74 | — | — | |
| SCHEMBL25159992 | 0.74 | — | — | |
| SCHEMBL15868237 | 0.74 | — | — | |
| SCHEMBL14042505 | 0.73 | — | — | |
| SCHEMBL19370572 | 0.72 | TDP1 (0.32) | — | |
| SCHEMBL22561894 | 0.72 | — | — | |
| SCHEMBL18973427 | 0.72 | — | — | |
| SCHEMBL25160922 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230365585-A1 | BENZODIAZEPINE DERIVATIVES USEFUL IN TREATING A RESPIRATORY SYNCYTIAL VIRUS INFECTION | PFIZER INC. | 2023-11-16 | — | — | US | disclosed |
| EP-2534154-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-08-05 | — | — | EP | disclosed |
| EP-3099688-B1 | MACROCYCLIC FACTOR XIA INHIBITORS CONDENSED WITH HETEROCYCLES | BRISTOL MYERS SQUIBB CO (US) | 2017-10-18 | — | — | EP | disclosed |
| US-9550753-B2 | Mono quaternary ammonium salts and methods for modulating neuronal nicotinic acetylcholine receptors | UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) | 2017-01-24 | — | — | US | disclosed |
| US-20150112058-A1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2015-04-23 | — | — | US | disclosed |