⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31528023 | 0.93 | NFKB1 (0.32) | — | |
| Diaminooctane SCHEMBL28334949 | 0.86 | DNM1 (0.35) | — | |
| SCHEMBL25182938 | 0.86 | DNM1 (0.35) | — | |
| SCHEMBL9394728 | 0.86 | DNM1 (0.35) | — | |
| SCHEMBL24396 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL7621894 | 0.83 | — | — | |
| SCHEMBL2887373 | 0.81 | ALDH1A1 (0.35) | — | |
| SCHEMBL28282472 | 0.80 | CPB2 (0.31) | — | |
| SCHEMBL8007439 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL23581211 | 0.78 | CYP2D6 (0.30) | — |
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-5191047-A | Enamine ketone and enonesulfide polymer systems | EDISON POLYMER INNOVATION CORPORATION (US) | 1993-03-02 | — | — | US | disclosed |
| WO-1991018935-A1 | ENAMINE KETONE AND ENONSULFIDE POLYMER SYSTEMS | EDISON POLYMER INNOVATION CORP. (US) | 1991-12-12 | — | — | WO | disclosed |
| US-5059666-A | Enamine ketone and enonesulfide polymer systems | EDISON POLYMER INNOVATION CORPORATION (US) | 1991-10-22 | — | — | US | disclosed |