⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2563386 | 0.83 | — | — | |
| SCHEMBL8938891 | 0.76 | — | — | |
| SCHEMBL4407931 | 0.76 | — | — | |
| SCHEMBL14566072 | 0.76 | — | — | |
| SCHEMBL23502434 | 0.74 | ALDH1A1 (0.30) | — | |
| SCHEMBL5649245 | 0.72 | — | — | |
| SCHEMBL9396252 | 0.72 | — | — | |
| SCHEMBL17169333 | 0.72 | — | — | |
| SCHEMBL22359156 | 0.70 | — | — | |
| SCHEMBL89085 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5565602-A | REACTING A HYDROCARBYL CHLORIDE WITH A CARBONYL SULFIDE AND AMINE IN PRESENCE OF A BASIC CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1996-10-15 | — | — | US | claimed |
| US-5565602-A | REACTING A HYDROCARBYL CHLORIDE WITH A CARBONYL SULFIDE AND AMINE IN PRESENCE OF A BASIC CATALYST | PHILLIPS PETROLEUM COMPANY (US) | 1996-10-15 | — | — | US | disclosed |
| US-4754024-A | Fibre-reactive azo dyes containing vinylsulfonyl or analogous groups | CIBA-GEIGY CORPORATION | 1988-06-28 | — | — | US | disclosed |