⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28007562 | 0.80 | — | — | |
| SCHEMBL27546695 | 0.76 | — | — | |
| SCHEMBL28631267 | 0.76 | — | — | |
| SCHEMBL27587029 | 0.63 | — | — | |
| SCHEMBL27342628 | 0.62 | SRD5A1 (0.33) | — | |
| SCHEMBL11620692 | 0.62 | GABRP (0.31) | — | |
| SCHEMBL27764751 | 0.61 | — | — | |
| SCHEMBL11701946 | 0.60 | — | — | |
| SCHEMBL20558560 | 0.60 | TSHR (0.36) | — | |
| SCHEMBL15167236 | 0.59 | — | — |
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-4101528-A | FLAME RETARDANT | AVTEX FIBERS INC. (US) | 1978-07-18 | — | — | US | disclosed |
| US-4059546-A | Textile fiber blend comprising cellulosic fibers and ethylene 2,6-naphthalene dicarboxylate-halogenated comonomers copolyester fibers | AVTEX FIBERS INC. (US) | 1977-11-22 | — | — | US | disclosed |