⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL165217 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28509554 | 0.72 | — | — | |
| SCHEMBL23419700 | 0.71 | — | — | |
| SCHEMBL15132109 | 0.71 | PLA2G1B (0.39) | — | |
| SCHEMBL23473519 | 0.70 | OPRM1 (0.42) | — | |
| SCHEMBL27850368 | 0.67 | — | — | |
| SCHEMBL5948881 | 0.67 | PLA2G1B (0.33) | — | |
| SCHEMBL5948831 | 0.67 | SIGMAR1 (0.35) | — | |
| SCHEMBL23471151 | 0.67 | OPRM1 (0.39) | — | |
| SCHEMBL393938 | 0.67 | — | — |
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-5877227-A | POLYETHER ISOCYANATE PREPOLYMER FROM POLYMETHYLENEPOLYPHENYLENE POLYISOCYANATE AND DIPHENYLMETHANE DIISOCYANATE CONTAINING 2,4-ISOMERS, WATER AS SOLE FOAMING AGENT | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1999-03-02 | — | — | US | disclosed |
| WO-1999007760-A2 | LOW DENSITY FLEXIBLE POLYURETHANE FOAMS | HUNTSMAN ICI CHEMICALS LLC (US) | 1999-02-18 | — | — | WO | disclosed |