⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3445101 | 0.70 | RAPGEF4 (0.41) | — | |
| SCHEMBL5598397 | 0.67 | TDP1 (0.42) | — | |
| SCHEMBL7901130 | 0.67 | RAPGEF4 (0.36) | — | |
| SCHEMBL6454202 | 0.67 | HPGD (0.36) | — | |
| SCHEMBL7463587 | 0.64 | — | — | |
| SCHEMBL7456754 | 0.64 | — | — | |
| SCHEMBL10994353 | 0.63 | RAPGEF4 (0.43) | — | |
| SCHEMBL7705523 | 0.63 | RAPGEF4 (0.39) | — | |
| SCHEMBL7525261 | 0.63 | RAPGEF4 (0.39) | — | |
| SCHEMBL30644701 | 0.63 | TDP1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1032576-B1 | PHOTOACTIVATABLE NITROGEN-CONTAINING BASES BASED ON ALPHA-AMMONIUM KETONES, IMINIUM KETONES OR AMIDINIUM KETONES AND ARYL BORATES | CIBA SC HOLDING AG (CH) | 2008-01-16 | — | — | EP | disclosed |
| US-6576684-B1 | Ammonium, phosphonium or sulfonium containing oligomers or polymers; controlled molecular weight, low polydispersity and a vinyl or dienyl end group; polymeric precursors and addi-tives | CIBA SPECIALTY CHEMICALS CORPORATION | 2003-06-10 | — | — | US | disclosed |
| EP-1112288-A1 | THERMAL- AND PHOTOINITIATED RADICAL POLYMERIZATION IN THE PRESENCE OF AN ADDITION FRAGMENTATION AGENT | Ciba SC Holding AG (CH) | 2001-07-04 | — | — | EP | disclosed |
| EP-1032576-A1 | PHOTOACTIVATABLE NITROGEN-CONTAINING BASES BASED ON $g(a)-AMMONIUM KETONES, IMINIUM KETONES OR AMIDINIUM KETONES AND ARYL BORATES | Ciba SC Holding AG (CH) | 2000-09-06 | — | — | EP | disclosed |
| WO-2000011041-A1 | THERMAL- AND PHOTOINITIATED RADICAL POLYMERIZATION IN THE PRESENCE OF AN ADDITION FRAGMENTATION AGENT | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 2000-03-02 | — | — | WO | disclosed |
| WO-1998038195-A1 | PHOTOACTIVATABLE NITROGEN-CONTAINING BASES BASED ON α-AMMONIUM KETONES, IMINIUM KETONES OR AMIDINIUM KETONES AND ARYL BORATES | CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) | 1998-09-03 | — | — | WO | disclosed |