⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8486973 | 0.96 | LMNA (0.50) | — | |
| SCHEMBL1310594 | 0.96 | LMNA (0.50) | — | |
| SCHEMBL12062 | 0.96 | — | — | |
| Water SCHEMBL492260 | 0.93 | LMNA (0.47) | — | |
| Hydrochloric Acid SCHEMBL2140478 | 0.93 | — | — | |
| SCHEMBL8723837 | 0.93 | LMNA (0.47) | — | |
| SCHEMBL2567092 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL11168271 | 0.93 | LMNA (0.47) | — | |
| SCHEMBL30036060 | 0.93 | — | — | |
| Fluoride SCHEMBL30330168 | 0.93 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20130158031-A1 | ALKYNE-BRIDGED HETERO-AROMATICS AND USES THEREOF | SU ZHOU JING HONG BIOTECH CO., LTD. (CN) | 2013-06-20 | — | — | US | disclosed |
| US-4357337-A | PIPERIDINYLALKYL DERIVATIVES | PHARMINDUSTRIE (FR) | 1982-11-02 | — | — | US | disclosed |