⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16901706 | 1.00 | — | — | |
| SCHEMBL4056759 | 0.88 | ALDH1A1 (0.46) | — | |
| SCHEMBL4502994 | 0.86 | KCNA3 (0.35) | — | |
| Methane SCHEMBL2676356 | 0.86 | ALDH1A1 (0.45) | — | |
| Methane SCHEMBL2677973 | 0.84 | MAPT (0.35) | — | |
| SCHEMBL2297832 | 0.81 | — | — | |
| SCHEMBL9327567 | 0.79 | DRD2 (0.35) | — | |
| SCHEMBL23674913 | 0.78 | — | — | |
| SCHEMBL724592 | 0.78 | — | — | |
| SCHEMBL29738336 | 0.78 | — | — |
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-4618599-A | WATER SOLUBILITY | RHONE-POULENC SANTE (FR) | 1986-10-21 | — | — | US | claimed |
| JP-2002088057-A | METHOD FOR PRODUCING OPTICALLY ACTIVE 3- HYDROXYPYRROLIDINE COMPOUNDS | MITSUBISHI CHEMICALS CORP | 2002-03-27 | — | — | JP | disclosed |
| US-5109013-A | 2-(2-substituted aminoethyl)-1,4-dialkyl-3,4-dihydro-1H-1,3,5]triazepino[3,2-a]benzimidazol-5(2H)-ones as muscle relaxants | A. H. ROBINS COMPANY, INCORPORATED (US) | 1992-04-28 | — | — | US | disclosed |
| US-4990683-A | Process for preparing 3-pyrrolidinols | A. H. ROBINS COMPANY, INCORPORATED (US) | 1991-02-05 | — | — | US | disclosed |