⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12394797 | 0.75 | TLR7 (0.33) | — | |
| SCHEMBL9906044 | 0.72 | HTR2A (0.32) | — | |
| SCHEMBL13433723 | 0.70 | MAPT (0.32) | — | |
| SCHEMBL16803996 | 0.70 | — | — | |
| SCHEMBL12417833 | 0.68 | HTR2A (0.32) | — | |
| SCHEMBL12417837 | 0.64 | CDK2 (0.38) | — | |
| SCHEMBL12120607 | 0.64 | CCNB2 (0.38) | — | |
| SCHEMBL12394806 | 0.63 | ELANE (0.41) | — | |
| SCHEMBL19431927 | 0.62 | ACACB (0.33) | — | |
| SCHEMBL18810222 | 0.62 | TYR (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110172299-A1 | THERAPEUTIC SUBSTITUTED CYCLOPENTANES | ALLERGAN, INC. (US) | 2011-07-14 | — | — | US | disclosed |