⚠ 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 | |
|---|---|---|---|---|
| Bromoethane SCHEMBL1330309 | 0.93 | — | — | |
| Bromoethane SCHEMBL989958 | 0.93 | — | — | |
| Bromoethane SCHEMBL1331842 | 0.93 | — | — | |
| Bromoethane SCHEMBL2322 | 0.93 | — | — | |
| Bromoethane SCHEMBL23628450 | 0.86 | — | — | |
| Bromoethane SCHEMBL8586792 | 0.86 | — | — | |
| Bromoethane SCHEMBL349037 | 0.86 | — | — | |
| Bromoethane SCHEMBL9350596 | 0.86 | ALDH1A1 (0.86) | — | |
| Bromoethane SCHEMBL5032176 | 0.86 | — | — | |
| Bromoethane SCHEMBL1097947 | 0.86 | — | — |
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-6207794-B1 | USING PHOSPHAZENIUM CATALYST | MITSUI CHEMICAL, INC. (JP) | 2001-03-27 | — | — | US | disclosed |
| EP-0916686-A1 | POLYOXYALKYLENEPOLYOLS, DERIVATIVES THEREOF, AND PROCESS FOR PRODUCING THE POLYOXYALKYLENEPOLYOLS | Mitsui Chemicals, Inc. (JP) | 1999-05-19 | — | — | EP | disclosed |