⚠ 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 SCHEMBL1259305 | 0.91 | — | — | |
| Propane SCHEMBL3227904 | 0.91 | — | — | |
| Propane SCHEMBL1698766 | 0.87 | — | — | |
| Propane SCHEMBL11856455 | 0.83 | — | — | |
| Propane SCHEMBL10956924 | 0.82 | TSHR (0.43) | — | |
| Propane SCHEMBL9246294 | 0.82 | — | — | |
| Propane SCHEMBL9248656 | 0.82 | TSHR (0.43) | — | |
| Propane SCHEMBL1021 | 0.82 | — | — | |
| Propane SCHEMBL286506 | 0.82 | — | — | |
| Propane SCHEMBL887727 | 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 |
|---|---|---|---|---|---|---|---|
| US-4994094-A | Filtration, pressurization, depressurization | GKSS FORSCHUNGSZENTRUM GEESTHACHT GMBH (DE) | 1991-02-19 | — | — | US | disclosed |