⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13389027 | 0.87 | CYP2D6 (0.31) | — | |
| SCHEMBL13491040 | 0.83 | — | — | |
| SCHEMBL15448355 | 0.82 | CYP2D6 (0.34) | — | |
| SCHEMBL18617782 | 0.76 | — | — | |
| SCHEMBL18616956 | 0.76 | — | — | |
| SCHEMBL15889020 | 0.76 | — | — | |
| SCHEMBL18584560 | 0.76 | — | — | |
| SCHEMBL12150581 | 0.76 | — | — | |
| SCHEMBL17827120 | 0.75 | — | — | |
| SCHEMBL19879628 | 0.75 | CA1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017112777-A1 | COMPOUNDS FOR THE TREATMENT OF CANCER AND INFLAMMATORY DISEASE | SHY Therapeutics LLC (US) | 2017-06-29 | — | — | WO | disclosed |
| US-8461328-B2 | Tricyclic heterocyclic compounds, compositions and methods of use thereof | GENENTECH, INC. (US) | 2013-06-11 | — | — | US | disclosed |
| US-20110201593-A1 | TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF | GENENTECH, INC. (US) | 2011-08-18 | — | — | US | disclosed |