⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18393770 | 0.85 | — | — | |
| SCHEMBL11758258 | 0.80 | — | — | |
| SCHEMBL3793233 | 0.78 | TRPA1 (0.32) | — | |
| SCHEMBL823137 | 0.77 | — | — | |
| SCHEMBL6244017 | 0.76 | — | — | |
| SCHEMBL1426194 | 0.76 | — | — | |
| SCHEMBL8821825 | 0.76 | — | — | |
| SCHEMBL14048559 | 0.76 | — | — | |
| SCHEMBL15478708 | 0.74 | LMNA (0.30) | — | |
| SCHEMBL28550155 | 0.74 | LMNA (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110288310-A1 | CYCLOHEXANE 1,4 CARBOXYLATES | DRATHS CORPORATION (US) | 2011-11-24 | — | — | US | disclosed |
| US-20110282078-A1 | CYCLOHEXENE 1,4 -CARBOXYLATES | DRATHS CORPORATION (US) | 2011-11-17 | — | — | US | disclosed |