⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19902270 | 0.77 | — | — | |
| SCHEMBL17482200 | 0.76 | MAPT (0.38) | — | |
| SCHEMBL17482201 | 0.68 | PDE10A (0.33) | — | |
| SCHEMBL19902559 | 0.65 | — | — | |
| SCHEMBL17482198 | 0.58 | SMN1; SMN2 (0.49) | — | |
| SCHEMBL24718927 | 0.58 | — | — | |
| SCHEMBL3683850 | 0.55 | — | — | |
| SCHEMBL3686568 | 0.53 | — | — | |
| SCHEMBL20373035 | 0.52 | — | — | |
| SCHEMBL23278653 | 0.52 | ACHE (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10174064-B2 | Photoactive energetic materials | TRIAD NATIONAL SECURITY, LLC (US) | 2019-01-08 | — | — | US | disclosed |
| US-9902748-B2 | Photoactive energetic materials | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2018-02-27 | — | — | US | disclosed |