⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8423769 | 0.67 | — | — | |
| SCHEMBL4863301 | 0.67 | — | — | |
| SCHEMBL17356119 | 0.67 | — | — | |
| SCHEMBL5439 | 0.59 | — | — | |
| SCHEMBL1089961 | 0.59 | — | — | |
| SCHEMBL7665222 | 0.59 | — | — | |
| SCHEMBL23464978 | 0.56 | ALDH1A1 (0.33) | — | |
| SCHEMBL5345048 | 0.56 | ALDH1A1 (0.33) | — | |
| SCHEMBL23464977 | 0.56 | ALDH1A1 (0.33) | — | |
| Methane SCHEMBL20985209 | 0.56 | — | — |
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-6352648-B1 | Environmentally benign non-toxic fire flooding agents | LACOVIA N.V. (AN) | 2002-03-05 | — | — | US | claimed |
| 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 |