⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3419520 | 0.76 | — | — | |
| SCHEMBL10899916 | 0.71 | — | — | |
| SCHEMBL622607 | 0.69 | — | — | |
| SCHEMBL588632 | 0.68 | — | — | |
| SCHEMBL375023 | 0.67 | — | — | |
| 2,3-Dibromopropanol SCHEMBL10717953 | 0.67 | — | — | |
| 2,3-Dibromopropanol SCHEMBL5312852 | 0.67 | — | — | |
| SCHEMBL7799620 | 0.67 | — | — | |
| 2,3-Dibromopropanol SCHEMBL288971 | 0.67 | — | — | |
| SCHEMBL7518986 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4864049-A | FIREPROOFING POLYURETHANE FOAMS | THE DOW CHEMICAL COMPANY (US) | 1989-09-05 | — | — | US | disclosed |
| US-4754048-A | FOR FIRE RESISTANT POLYURETHANE FOAMS | THE DOW CHEMICAL COMPANY (US) | 1988-06-28 | — | — | US | disclosed |
| US-4496494-A | REACTION OF EPOXY COMPOUND WITH PHOSPHORUS-CONTAINING ACID DERIVATIVE AND DEALKYLATION | THE DOW CHEMICAL COMPANY (US) | 1985-01-29 | — | — | US | disclosed |
| US-4365026-A | (Halo)(hydroxy)-substituted phosphites and phosphorates as flame retardants in polyurethane foams | THE DOW CHEMICAL COMPANY (US) | 1982-12-21 | — | — | US | disclosed |