⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6142351 | 0.89 | TP53 (0.35) | — | |
| SCHEMBL20851065 | 0.85 | ANPEP (0.36) | — | |
| SCHEMBL22923701 | 0.81 | — | — | |
| SCHEMBL14353769 | 0.80 | — | — | |
| SCHEMBL30366795 | 0.78 | — | — | |
| SCHEMBL1017095 | 0.73 | — | — | |
| SCHEMBL20186677 | 0.73 | — | — | |
| SCHEMBL8707 | 0.73 | — | — | |
| SCHEMBL10673601 | 0.73 | — | — | |
| SCHEMBL15317975 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2000078826-A1 | CATALYSTS | BOREALIS TECHNOLOGY OY (FI) | 2000-12-28 | — | — | WO | disclosed |
| US-5259915-A | Organometallic compounds | Merck Patent Gesellschaft Beschrankter Haftung (DE) | 1993-11-09 | — | — | US | disclosed |
| US-4676803-A | Reactive azo dyestuffs, free from anionic groups and containing a basic group and halogenotriazinyl radical and useful for dyeing cellulose/polyester | BAYER AKTIENGESELLSCHAFT (DE) | 1987-06-30 | — | — | US | disclosed |
| EP-0022209-B1 | FLUOR-TRIAZINE DYESTUFFS AND THEIR USE IN DYEING CELLULOSIC FIBROUS MATERIALS | BAYER AG (DE) | 1985-04-17 | — | — | EP | disclosed |
| US-4503224-A | FIBER-REACTIVE, COTTON-POLYESTER BLENDS | BAYER AKTIENGESELLSCHAFT (DE) | 1985-03-05 | — | — | US | disclosed |
| EP-0022209-A2 | Fluor-triazine dyestuffs and their use in dyeing cellulosic fibrous materials | BAYER AG (DE) | 1981-01-14 | — | — | EP | disclosed |