⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10477877 | 0.86 | LMNA (0.30) | — | |
| SCHEMBL2533735 | 0.69 | TSHR (0.34) | — | |
| Pyrrolidine SCHEMBL9290837 | 0.68 | — | — | |
| Piperidine SCHEMBL27748310 | 0.66 | ALDH1A1 (0.60) | — | |
| Azetidine SCHEMBL30499018 | 0.65 | FFAR3 (0.54) | — | |
| Azetidine SCHEMBL2300503 | 0.65 | — | — | |
| Acetone SCHEMBL18740714 | 0.64 | — | — | |
| Piperidine SCHEMBL27769626 | 0.64 | ALDH1A1 (0.56) | — | |
| SCHEMBL10827160 | 0.64 | — | — | |
| SCHEMBL12538032 | 0.64 | TSHR (0.31) | — |
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-0019906-A1 | Mixture hardening under the influence of atmospheric moisture and process for preparing polyisocyanate polyaddition products or cross-linked polyepoxides | AKZO N.V. (NL) | 1980-12-10 | — | — | EP | disclosed |