⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14742185 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL2008684 | 0.60 | LTA4H (0.37) | — | |
| SCHEMBL11199123 | 0.50 | — | — | |
| SCHEMBL27943609 | 0.42 | — | — | |
| SCHEMBL1477717 | 0.41 | — | — | |
| SCHEMBL1444312 | 0.41 | — | — | |
| SCHEMBL4974 | 0.39 | — | — | |
| SCHEMBL610831 | 0.36 | — | — | |
| SCHEMBL11607518 | 0.35 | — | — | |
| SCHEMBL31634339 | 0.35 | LMNA (0.43) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6143749-A | Heterocyclic substituted cyclopentane compounds | ABBOTT LABORATORIES (US) | 2000-11-07 | — | — | US | disclosed |
| EP-0873340-A1 | HETEROCYCLIC SUBSTITUTED CYCLOPENTANE COMPOUNDS | Abbott Laboratories (US) | 1998-10-28 | — | — | EP | disclosed |
| US-5665721-A | ADENOSINE KINASE INHIBITORS | ABBOTT LABORATORIES (US) | 1997-09-09 | — | — | US | disclosed |
| WO-1996040686-A1 | HETEROCYCLIC SUBSTITUTED CYCLOPENTANE COMPOUNDS | ABBOTT LABORATORIES (US) | 1996-12-19 | — | — | WO | disclosed |