⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL278681 | 0.80 | CYP3A4 (0.31) | — | |
| SCHEMBL11869998 | 0.76 | — | — | |
| SCHEMBL11874903 | 0.76 | — | — | |
| SCHEMBL11596094 | 0.71 | CYP3A4 (0.30) | — | |
| SCHEMBL10715516 | 0.70 | — | — | |
| SCHEMBL11762270 | 0.68 | SLC6A2 (0.37) | — | |
| SCHEMBL11645238 | 0.63 | CSNK2A1 (0.32) | — | |
| SCHEMBL11826984 | 0.63 | CSNK2A2 (0.34) | — | |
| SCHEMBL2493088 | 0.63 | — | — | |
| SCHEMBL11141322 | 0.62 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3954790-A | USED TO PRODUCE HEAT-STABLE, FLAME-RESISTANT POLYMERS | CIBA-GEIGY CORPORATION (US) | 1976-05-04 | — | — | US | disclosed |