⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1184042 | 0.77 | — | — | |
| SCHEMBL279658 | 0.77 | — | — | |
| SCHEMBL6735293 | 0.77 | — | — | |
| SCHEMBL11780272 | 0.74 | — | — | |
| SCHEMBL6656723 | 0.74 | — | — | |
| SCHEMBL7072031 | 0.74 | MGAM (0.46) | — | |
| SCHEMBL27475336 | 0.72 | — | — | |
| SCHEMBL599206 | 0.71 | — | — | |
| SCHEMBL7037261 | 0.70 | ALDH1A1 (0.55) | — | |
| SCHEMBL16922257 | 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-20180217498-A1 | PHOTOACTIVABLE NITROGEN BASES | BASF SE (DE) | 2018-08-02 | — | — | US | disclosed |
| US-9921477-B2 | Photoactivable nitrogen bases | BASE SE (DE) | 2018-03-20 | — | — | US | disclosed |
| US-20100105794-A1 | PHOTOACTIVABLE NITROGEN BASES | CIBA CORPORATION (US) | 2010-04-29 | — | — | US | disclosed |