⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20854324 | 0.96 | ESR1 (0.36) | — | |
| SCHEMBL19628668 | 0.77 | ESR1 (0.33) | — | |
| SCHEMBL10485644 | 0.74 | ESR1 (0.36) | — | |
| SCHEMBL2640063 | 0.72 | PGR (0.34) | — | |
| SCHEMBL18020453 | 0.71 | GSK3A (0.30) | — | |
| SCHEMBL18020305 | 0.71 | MAPT (0.31) | — | |
| SCHEMBL2015391 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL2982384 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL22767562 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL2015392 | 0.69 | ALDH1A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2605762-A1 | COMPOSITIONS COMPRISING ADIPOSE TISSUE AND A PGE2 ANALOGUE AND THEIR USE IN THE TREATMENT OF A SOFT TISSUE CONDITION | Allergan, Inc. (US) | 2013-06-26 | — | — | EP | disclosed |
| WO-2012024072-A1 | COMPOSITIONS COMPRISING ADIPOSE TISSUE AND A PGE2 ANALOGUE AND THEIR USE IN THE TREATMENT OF A SOFT TISSUE CONDITION | ALLERGAN, INC. (US) | 2012-02-23 | — | — | WO | disclosed |