⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2815345 | 0.79 | — | — | |
| SCHEMBL2813182 | 0.79 | — | — | |
| SCHEMBL2816927 | 0.79 | — | — | |
| SCHEMBL2810226 | 0.74 | — | — | |
| SCHEMBL537407 | 0.74 | — | — | |
| SCHEMBL565210 | 0.72 | — | — | |
| SCHEMBL2806379 | 0.72 | — | — | |
| SCHEMBL8995091 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL2816918 | 0.71 | — | — | |
| SCHEMBL2814479 | 0.71 | — | — |
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-20100249302-A1 | LIQUID COMPOSITION CONTAINING PERFLUORO-CHLOROETHER SOLVENT | FUJIFILM CORPORATION (JP) | 2010-09-30 | — | — | US | disclosed |
| US-6352648-B1 | Environmentally benign non-toxic fire flooding agents | LACOVIA N.V. (AN) | 2002-03-05 | — | — | US | disclosed |
| US-6146544-A | HALOGENATED HYDROCARBON FIRE EXTINGUISHER MIXED WITH 1,3-BUTADIENE | LACOVIA N.V. (CH) | 2000-11-14 | — | — | US | disclosed |