⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11656140 | 0.92 | FAAH (0.44) | — | |
| SCHEMBL11656142 | 0.92 | FAAH (0.44) | — | |
| SCHEMBL11656767 | 0.90 | FAAH (0.48) | — | |
| SCHEMBL11657517 | 0.90 | FAAH (0.48) | — | |
| SCHEMBL11657514 | 0.90 | FAAH (0.48) | — | |
| SCHEMBL11656765 | 0.90 | FAAH (0.48) | — | |
| SCHEMBL18683504 | 0.83 | — | — | |
| SCHEMBL14330320 | 0.83 | — | — | |
| SCHEMBL385510 | 0.82 | TSHR (0.36) | — | |
| SCHEMBL4433257 | 0.78 | FAAH (0.41) | — |
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-7605178-B2 | Therapeutic compounds | ALLERGAN, INC. (US) | 2009-10-20 | — | — | US | disclosed |
| US-20080119538-A1 | THERAPEUTIC COMPOUNDS | ALLERGAN, INC. | 2008-05-22 | — | — | US | disclosed |