⚠ 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 | |
|---|---|---|---|---|
| Norflurane SCHEMBL31742402 | 0.96 | — | — | |
| Norflurane SCHEMBL10423659 | 0.87 | ALDH1A1 (0.33) | — | |
| Norflurane SCHEMBL15855798 | 0.87 | — | — | |
| SCHEMBL6685171 | 0.84 | CETP (0.30) | — | |
| Norflurane SCHEMBL1618970 | 0.84 | — | — | |
| Apaflurane SCHEMBL2768572 | 0.81 | — | — | |
| Norflurane SCHEMBL8372140 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL7154517 | 0.80 | — | — | |
| Norflurane SCHEMBL2770302 | 0.79 | — | — | |
| Norflurane SCHEMBL9125113 | 0.79 | — | — |
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-20020050583-A1 | Composition that can be used as a refrigerant | ATOFINA (FR) | 2002-05-02 | — | — | US | disclosed |
| EP-0705299-B1 | MICROVOID POLYURETHANE MATERIAL | ICI PLC (GB) | 1998-07-15 | — | — | EP | disclosed |
| US-5659094-A | MULTISTAGE REACTION OF 1,1,1-TRIFLUORO-2-CHLOROETHANE WITH HYDROGEN FLUORIDE USING FLUORINATION CATALYST | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1997-08-19 | — | — | US | disclosed |