⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4635558 | 0.71 | — | — | |
| SCHEMBL4723749 | 0.69 | — | — | |
| SCHEMBL1269153 | 0.69 | KDM4E (0.32) | — | |
| SCHEMBL28279580 | 0.67 | CHRM2 (0.34) | — | |
| SCHEMBL4871131 | 0.67 | — | — | |
| SCHEMBL4722164 | 0.67 | KDM4E (0.31) | — | |
| SCHEMBL3585393 | 0.67 | — | — | |
| SCHEMBL4862212 | 0.65 | MEN1 (0.30) | — | |
| SCHEMBL28023530 | 0.65 | L3MBTL1 (0.32) | — | |
| Alcohol SCHEMBL29034376 | 0.65 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |