⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2973761 | 0.85 | — | — | |
| SCHEMBL3499736 | 0.78 | — | — | |
| SCHEMBL16889133 | 0.78 | — | — | |
| SCHEMBL16889132 | 0.78 | — | — | |
| SCHEMBL28261135 | 0.74 | — | — | |
| SCHEMBL1164528 | 0.74 | — | — | |
| SCHEMBL457883 | 0.73 | — | — | |
| Water SCHEMBL17800994 | 0.73 | — | — | |
| SCHEMBL5152709 | 0.72 | — | — | |
| SCHEMBL16885336 | 0.72 | AR (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2007297301-A | METHOD FOR PRODUCING 3,4-DIHYDROXY-3-METHYLBUTYRONITRILE | DAISO CO LTD | 2007-11-15 | — | — | JP | disclosed |
| EP-1052258-B1 | PROCESS FOR PRODUCING BETA-HYDROXY-GAMMA-BUTYROLACTONE DERIVATIVES AND BETA-(METH)ACRYLOYLOXY-GAMMA-BUTYROLACTONE DERIVATIVES | MITSUBISHI RAYON CO (JP) | 2004-03-03 | — | — | EP | disclosed |
| US-6313321-B1 | Process for preparing β-hydroxy-γ-butyrolactones and β-(meth)acryloyloxy-γ-butrolactones | MITSUBISHI RAYON CO., LTD. (JP) | 2001-11-06 | — | — | US | disclosed |
| EP-1052258-A1 | PROCESS FOR PRODUCING BETA-HYDROXY-GAMMA-BUTYROLACTONE DERIVATIVES AND BETA-(METH)ACRYLOYLOXY-GAMMA-BUTYROLACTONE DERIVATIVES | Mitsubishi Rayon Co., Ltd. (JP) | 2000-11-15 | — | — | EP | disclosed |