⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31298228 | 0.97 | MEN1 (0.39) | — | |
| SCHEMBL29004067 | 0.94 | — | — | |
| SCHEMBL3249614 | 0.79 | DPP7 (0.36) | — | |
| SCHEMBL6505666 | 0.77 | USP2 (0.43) | — | |
| SCHEMBL8007596 | 0.77 | MEN1 (0.33) | — | |
| SCHEMBL3261592 | 0.74 | — | — | |
| SCHEMBL12244538 | 0.74 | — | — | |
| SCHEMBL13356069 | 0.74 | DPP7 (0.36) | — | |
| SCHEMBL19523849 | 0.72 | — | — | |
| SCHEMBL669829 | 0.72 | MAPT (0.42) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3406142-B1 | SELECTIVE SPHINGOSINE 1 PHOSPHATE RECEPTOR MODULATORS AND METHODS OF CHIRAL SYNTHESIS | CELGENE INT II SARL (CH) | 2020-12-23 | — | — | EP | disclosed |
| US-6624313-B2 | Treating the corrresponding 3-protected hydroxypyrrolidine compound with a base in the presence of an alkyl alcohol and isolating the crystalline form | WARNER-LAMBERT COMPANY LLC | 2003-09-23 | — | — | US | disclosed |
| US-6624313-B2 | Treating the corrresponding 3-protected hydroxypyrrolidine compound with a base in the presence of an alkyl alcohol and isolating the crystalline form | WARNER-LAMBERT COMPANY LLC | 2003-09-23 | — | — | US | disclosed |
| US-20020161241-A1 | Process for preparing hydroxypyrrolidinyl ethylamine compounds useful as kappa agonists | PFIZER INC. | 2002-10-31 | — | — | US | disclosed |
| US-20020161241-A1 | Process for preparing hydroxypyrrolidinyl ethylamine compounds useful as kappa agonists | PFIZER INC. | 2002-10-31 | — | — | US | disclosed |