⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL934451 | 1.00 | — | — | |
| SCHEMBL5696691 | 0.81 | — | — | |
| SCHEMBL18952220 | 0.79 | GPR84 (0.62) | — | |
| SCHEMBL270757 | 0.78 | — | — | |
| SCHEMBL3195612 | 0.77 | GPR84 (0.67) | — | |
| SCHEMBL3937159 | 0.76 | — | — | |
| SCHEMBL5807481 | 0.76 | — | — | |
| SCHEMBL17184056 | 0.75 | — | — | |
| SCHEMBL360594 | 0.75 | — | — | |
| SCHEMBL5793169 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013040412-A2 | METHODS FOR INHIBITING BACTERIA GROWTH | BIORELIX, INC. (US) | 2013-03-21 | — | — | WO | claimed |
| US-20120077781-A1 | FLAVIN DERIVATIVES | GADWOOD ROBERT (US) | 2012-03-29 | — | — | US | claimed |
| WO-2010019208-A1 | FLAVIN DERIVATIVES | BIORELIX PHARMACEUTICALS, INC. (US) | 2010-02-18 | — | — | WO | claimed |
| WO-2013040412-A2 | METHODS FOR INHIBITING BACTERIA GROWTH | BIORELIX, INC. (US) | 2013-03-21 | — | — | WO | disclosed |
| WO-2010019208-A1 | FLAVIN DERIVATIVES | BIORELIX PHARMACEUTICALS, INC. (US) | 2010-02-18 | — | — | WO | disclosed |