⚠ 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 SCHEMBL27571101 | 1.00 | — | — | |
| Propane SCHEMBL28187084 | 1.00 | — | — | |
| Propane SCHEMBL28337752 | 1.00 | — | — | |
| Propane SCHEMBL9410220 | 1.00 | — | — | |
| Propane SCHEMBL20543508 | 1.00 | — | — | |
| Propane SCHEMBL27862774 | 1.00 | — | — | |
| Propane SCHEMBL28164072 | 0.96 | TSHR (0.31) | — | |
| Propane SCHEMBL28680075 | 0.96 | TSHR (0.31) | — | |
| Propane SCHEMBL25170512 | 0.95 | — | — | |
| Propane SCHEMBL111122 | 0.95 | — | — |
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-4532266-A | Polymer-containing polyether polyamines and a process for the production of these polyamines | BAYER AKTIENGESELLSCHAFT (DE) | 1985-07-30 | — | — | US | disclosed |