⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8902410 | 0.87 | — | — | |
| SCHEMBL19812676 | 0.84 | GABRR1 (0.34) | — | |
| SCHEMBL19812655 | 0.79 | DNM1 (0.42) | — | |
| SCHEMBL19812650 | 0.74 | GABRR1 (0.31) | — | |
| SCHEMBL15388797 | 0.72 | — | — | |
| SCHEMBL7819603 | 0.71 | — | — | |
| SCHEMBL381733 | 0.71 | — | — | |
| SCHEMBL23647076 | 0.71 | SIGMAR1 (0.35) | — | |
| SCHEMBL2542167 | 0.69 | — | — | |
| SCHEMBL794985 | 0.69 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150152043-A1 | SYNTHESIS OF AND COMPOSITIONS CONTAINING DIAMINOACETALS AND DIAMINOKETALS | PASTINE STEFAN J (US) | 2015-06-04 | — | — | US | disclosed |
| US-20070207992-A1 | Geldanamycin derivatives and method of use thereof | BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) | 2007-09-06 | — | — | US | disclosed |
| WO-2007098229-A2 | GELDANAMYCIN DERIVATIVES AND METHOD OF USE THEREOF | MICHIGAN STATE UNIVERSITY (US) | 2007-08-30 | — | — | WO | disclosed |