⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5587 | 0.83 | — | — | |
| Lithium SCHEMBL31160309 | 0.79 | — | — | |
| Bromide SCHEMBL20292651 | 0.79 | — | — | |
| Chlorolithium SCHEMBL28044655 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL16236402 | 0.75 | — | — | |
| SCHEMBL10708414 | 0.72 | — | — | |
| SCHEMBL3668 | 0.68 | — | — | |
| Ether SCHEMBL27533638 | 0.67 | — | — | |
| SCHEMBL6054 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL16010086 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0013553-B1 | POLYAMIDES AND A PROCESS FOR THEIR PREPARATION FROM A SUBSTITUTED EPSILON-CAPROLACTAM | TORAY INDUSTRIES, INC. (JP) | 1983-04-13 | — | — | EP | disclosed |