⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6386752 | 0.89 | BACE1 (0.31) | — | |
| SCHEMBL5747380 | 0.89 | BACE1 (0.31) | — | |
| SCHEMBL9870670 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL9865636 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL6604249 | 0.79 | MEN1 (0.32) | — | |
| SCHEMBL4511068 | 0.77 | IRAK4 (0.33) | — | |
| SCHEMBL4511069 | 0.77 | IRAK4 (0.33) | — | |
| SCHEMBL9666729 | 0.69 | — | — | |
| Caprolactam SCHEMBL28275090 | 0.66 | CRBN (0.53) | — | |
| SCHEMBL2603209 | 0.65 | CRBN (0.33) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1841733-A2 | SUBSTITUTED PYRROLIDONE COMPOUNDS AS PROSTAGLANDIN EP4 AGONISTS | Allergan, Inc. (US) | 2007-10-10 | — | — | EP | disclosed |
| EP-1722795-A1 | PIPERIDINYL PROSTAGLANDIN E ANALOGS | Allergan, Inc. (US) | 2006-11-22 | — | — | EP | disclosed |
| WO-2006052893-A2 | SUBSTITUTED PYRROLIDONE COMPOUNDS AS EP4 AGONISTS | ALLERGAN, INC. (US) | 2006-05-18 | — | — | WO | disclosed |
| WO-2005072735-A1 | PIPERIDINYL PROSTAGLANDIN E ANALOGS | ALLERGAN, INC. (US) | 2005-08-11 | — | — | WO | disclosed |