⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL787268 | 0.76 | MEN1 (0.32) | — | |
| SCHEMBL16531806 | 0.76 | MEN1 (0.32) | — | |
| SCHEMBL170618 | 0.76 | MEN1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL7975590 | 0.74 | MEN1 (0.31) | — | |
| Bromide SCHEMBL11042423 | 0.74 | MEN1 (0.31) | — | |
| SCHEMBL8997144 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL4086829 | 0.72 | — | — | |
| Allyl Alcohol SCHEMBL6881461 | 0.70 | TSHR (0.50) | — | |
| SCHEMBL10958884 | 0.70 | LMNA (0.33) | — | |
| SCHEMBL9662071 | 0.69 | ALDH1A1 (0.35) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5922874-A | Process for preparing N-aryl-N'-alkyl-piperazines | BAYER ATKIENGESELLSCHAFT (DE) | 1999-07-13 | — | — | US | claimed |
| EP-0895993-A1 | Process for the preparation of N-aryl-N'aklyl-piperazines | BAYER AG (DE) | 1999-02-10 | — | — | EP | claimed |
| JP-58108285-A | — | — | None | — | — | JP | disclosed |
| JP-11116560-A | — | — | None | — | — | JP | disclosed |
| US-5922874-A | Process for preparing N-aryl-N'-alkyl-piperazines | BAYER ATKIENGESELLSCHAFT (DE) | 1999-07-13 | — | — | US | disclosed |
| US-5922874-A | Process for preparing N-aryl-N'-alkyl-piperazines | BAYER ATKIENGESELLSCHAFT (DE) | 1999-07-13 | — | — | US | disclosed |
| JP-H11116560-A | PRODUCTION OF N-ARYL-N'-ALKYL-PIPERAZINE | BAYER AG | 1999-04-27 | — | — | JP | disclosed |
| EP-0895993-A1 | Process for the preparation of N-aryl-N'aklyl-piperazines | BAYER AG (DE) | 1999-02-10 | — | — | EP | disclosed |
| EP-0895993-A1 | Process for the preparation of N-aryl-N'aklyl-piperazines | BAYER AG (DE) | 1999-02-10 | — | — | EP | disclosed |
| JP-S58108285-A | ANTISTATIC AGENT | NIPPON STEEL CHEM CO LTD | 1983-06-28 | — | — | JP | disclosed |