⚠ 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 | |
|---|---|---|---|---|
| Acetaldehyde SCHEMBL27678913 | 0.78 | — | — | |
| SCHEMBL20475 | 0.76 | — | — | |
| SCHEMBL1276473 | 0.76 | TSHR (0.36) | — | |
| SCHEMBL1331313 | 0.76 | — | — | |
| SCHEMBL935643 | 0.76 | — | — | |
| Propene SCHEMBL27593070 | 0.75 | — | — | |
| Acetaldehyde SCHEMBL15522499 | 0.75 | — | — | |
| Acetone SCHEMBL4362729 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL10394131 | 0.71 | — | — | |
| Water SCHEMBL10594279 | 0.71 | TSHR (0.33) | — |
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-20080281120-A1 | Method for Producing Linear Pentenenitrile | BASF AKTIENGESELLSCHAFT (DE) | 2008-11-13 | — | — | US | disclosed |