⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7243118 | 0.84 | NAAA (0.32) | — | |
| SCHEMBL10010510 | 0.82 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL7758105 | 0.80 | — | — | |
| SCHEMBL10012514 | 0.78 | ALDH1A1 (0.40) | — | |
| SCHEMBL10011349 | 0.77 | KMT2A (0.35) | — | |
| SCHEMBL10011315 | 0.76 | TP53 (0.38) | — | |
| SCHEMBL3974296 | 0.75 | — | — | |
| SCHEMBL10012413 | 0.75 | TSHR (0.32) | — | |
| SCHEMBL10012509 | 0.75 | HCAR2 (0.39) | — | |
| SCHEMBL9591961 | 0.74 | — | — |
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-6632958-B1 | An alkene (1) is added to cyclopentenone (2) under the action of an alkyl lithium and an organic copper reagent to form an adduct, said adduct is reacted with e.g. a carboxylic anhydride (4) to obtain a prostaglandin derivative, which is | MITSUBISHI PHARMA CORPORATION (JP) | 2003-10-14 | — | — | US | disclosed |
| EP-1085012-A1 | PROCESS FOR PRODUCING PURIFIED PROSTAGLANDIN DERIVATIVE | Asahi Glass Co., Ltd. (JP) | 2001-03-21 | — | — | EP | disclosed |