⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9861668 | 0.81 | CA2 (0.33) | — | |
| SCHEMBL6538233 | 0.79 | — | — | |
| SCHEMBL11012366 | 0.77 | TSHR (0.32) | — | |
| SCHEMBL13652354 | 0.70 | — | — | |
| SCHEMBL4027960 | 0.69 | — | — | |
| SCHEMBL10712112 | 0.64 | — | — | |
| SCHEMBL9647392 | 0.64 | — | — | |
| SCHEMBL789662 | 0.62 | — | — | |
| SCHEMBL30872113 | 0.62 | AKR1B1 (0.34) | — | |
| SCHEMBL30872107 | 0.62 | AKR1B1 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2438048-A2 | POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS | Amira Pharmaceuticals, Inc. (US) | 2012-04-11 | — | — | EP | disclosed |
| WO-2010141761-A2 | POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS | AMIRA PHARMACEUTICALS, INC. (US) | 2010-12-09 | — | — | WO | disclosed |
| WO-2010141768-A2 | POLYCYCLIC ANTAGONISTS OF LYSOPHOSPHATIDIC ACID RECEPTORS | AMIRA PHARMACEUTICALS, INC. (US) | 2010-12-09 | — | — | WO | disclosed |