⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5145085 | 0.83 | — | — | |
| SCHEMBL19387517 | 0.81 | ALDH1A1 (0.34) | — | |
| SCHEMBL9854687 | 0.81 | — | — | |
| SCHEMBL23071822 | 0.81 | — | — | |
| SCHEMBL1033955 | 0.81 | — | — | |
| SCHEMBL20960402 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL15850486 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL12131751 | 0.78 | USP2 (0.55) | — | |
| SCHEMBL787343 | 0.78 | — | — | |
| SCHEMBL24140490 | 0.78 | DPP4 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120295874-A1 | COFERONS AND METHODS OF MAKING AND USING THEM | CORNELL UNIVERSITY (US) | 2012-11-22 | — | — | US | disclosed |
| US-20120220567-A1 | BENZO-FUSED OXAZEPINE COMPOUNDS AS STEAROYL-COENZYME A DELTA-9 DESATURASE INHIBITORS | SCHERING CORPORATION | 2012-08-30 | — | — | US | disclosed |
| US-20110064694-A1 | ANTI-HEPATITIS C ACTIVITY OF MESO-TETRAKIS-PORPHYRIN ANALOGUES | YALE UNIVERSITY (US) | 2011-03-17 | — | — | US | disclosed |