⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11110052 | 0.71 | — | — | |
| SCHEMBL4487116 | 0.69 | — | — | |
| SCHEMBL8498586 | 0.64 | — | — | |
| Phosphonic Acid SCHEMBL27315448 | 0.64 | — | — | |
| SCHEMBL6450169 | 0.63 | HTT (0.31) | — | |
| SCHEMBL748440 | 0.62 | — | — | |
| SCHEMBL17061029 | 0.62 | — | — | |
| SCHEMBL28574527 | 0.61 | — | — | |
| SCHEMBL10953941 | 0.61 | — | — | |
| SCHEMBL8076384 | 0.60 | — | — |
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-4118440-A | Crosslinked vinyl halide polymers as flame retardant additives for thermoplastic polyester | STAUFFER CHEMICAL COMPANY (US) | 1978-10-03 | — | — | US | disclosed |