⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL9488373 | 0.93 | — | — | |
| Propane SCHEMBL11764520 | 0.93 | — | — | |
| Propane SCHEMBL1411803 | 0.93 | — | — | |
| Propane SCHEMBL27670938 | 0.86 | — | — | |
| Propane SCHEMBL10531727 | 0.86 | ALDH1A1 (0.30) | — | |
| Propane SCHEMBL8844663 | 0.86 | — | — | |
| Propane SCHEMBL9837149 | 0.84 | — | — | |
| Propane SCHEMBL2245238 | 0.84 | — | — | |
| Propane SCHEMBL4349398 | 0.77 | — | — | |
| Propane SCHEMBL3410143 | 0.77 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104246150-A | Systems and methods for integrated energy storage and cryogenic carbon capture | SUSTAINABLE ENERGY SOLUTIONS LLC | 2014-12-24 | — | — | CN | disclosed |