⚠ 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 | |
|---|---|---|---|---|
| Dichlorodifluoromethane SCHEMBL10893277 | 0.95 | ALDH1A1 (0.30) | — | |
| Trichloromonofluoromethane SCHEMBL9396690 | 0.95 | ALDH1A1 (0.30) | — | |
| SCHEMBL63592 | 0.89 | — | — | |
| Water SCHEMBL10481409 | 0.84 | — | — | |
| SCHEMBL10418027 | 0.84 | — | — | |
| Trichloromonofluoromethane SCHEMBL5968361 | 0.84 | TSHR (0.38) | — | |
| Ethylene SCHEMBL25386062 | 0.80 | — | — | |
| SCHEMBL4805407 | 0.80 | — | — | |
| Ethane SCHEMBL28652822 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL7939995 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0731822-A1 | PROCESS FOR RIGID POLYURETHANE FOAMS | ICI PLC (GB) | 1996-09-18 | — | — | EP | disclosed |
| WO-1995015356-A1 | PROCESS FOR RIGID POLYURETHANE FOAMS | IMPERIAL CHEMICAL INDUSTRIES PLC (GB) | 1995-06-08 | — | — | WO | disclosed |