⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1607054 | 0.86 | NOS3 (0.41) | — | |
| SCHEMBL1607683 | 0.84 | NOS3 (0.40) | — | |
| SCHEMBL1607736 | 0.75 | NOS2 (0.39) | — | |
| SCHEMBL1364757 | 0.74 | MAPT (0.43) | — | |
| SCHEMBL497608 | 0.74 | — | — | |
| SCHEMBL1606746 | 0.74 | NOS3 (0.38) | — | |
| SCHEMBL10584052 | 0.72 | NOS2 (0.40) | — | |
| Hydrochloric Acid SCHEMBL11286601 | 0.72 | — | — | |
| SCHEMBL19512122 | 0.71 | — | — | |
| SCHEMBL7195580 | 0.71 | MAPT (0.38) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0873340-A1 | HETEROCYCLIC SUBSTITUTED CYCLOPENTANE COMPOUNDS | Abbott Laboratories (US) | 1998-10-28 | — | — | EP | disclosed |
| WO-1996040686-A1 | HETEROCYCLIC SUBSTITUTED CYCLOPENTANE COMPOUNDS | ABBOTT LABORATORIES (US) | 1996-12-19 | — | — | WO | disclosed |