Known targets — ChEMBL curated mechanism
ADORA1ADORA2AADORA2BADORA3PDE3APDE3BPDE4APDE4BPDE4CPDE4D
The experimentally established mechanism targets of Pyrrolidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
⚠ 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 | |
|---|---|---|---|---|
| Piperidine SCHEMBL4128881 | 0.96 | ALDH1A1 (0.64) | — | |
| Ethylenediamine SCHEMBL1030825 | 0.88 | — | — | |
| Piperazine SCHEMBL2882663 | 0.84 | HIF1A (0.55) | — | |
| Piperazine SCHEMBL5946683 | 0.84 | HIF1A (0.55) | — | |
| Piperazine SCHEMBL14739784 | 0.84 | HIF1A (0.55) | — | |
| Piperidine SCHEMBL28952742 | 0.83 | ALDH1A1 (0.56) | — | |
| Pyrrolidine SCHEMBL2463793 | 0.81 | — | — | |
| Piperidine SCHEMBL7523716 | 0.81 | ALDH1A1 (0.53) | — | |
| Piperidine SCHEMBL28041935 | 0.81 | ALDH1A1 (0.53) | — | |
| Piperazine SCHEMBL3905641 | 0.80 | HIF1A (0.50) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0161491-B1 | IRON-ALUMINUM-PHOSPHORUS-SILICON-OXIDE MOLECULAR SIEVES | UNION CARBIDE CORPORATION (US) | 1988-05-25 | — | — | EP | claimed |
| US-4683217-A | Iron-aluminum-phosphorus-silicon-oxide molecular sieves | UNION CARBIDE CORPORATION (US) | 1987-07-28 | — | — | US | claimed |
| EP-0161491-A1 | Iron-aluminum-phosphorus-silicon-oxide molecular sieves | UNION CARBIDE CORPORATION (US) | 1985-11-21 | — | — | EP | claimed |
| WO-2010144101-A1 | NEXT GENERATION QUINOLOINE METHANOLS | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF U.S. (US) | 2010-12-16 | — | — | WO | disclosed |
| WO-2010144102-A1 | PENTAFLUOROSULFANYL ANALOGS OF MEFLOQUINE | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF U.S. ARMY MEDICAL RESEARCH AND MATERIAL COMMAND (US) | 2010-12-16 | — | — | WO | disclosed |
| WO-2010144434-A1 | DERIVATIVES OF MEFLOQUINE AND ASSOCIATED METHODS FOR MAKING AND USING | THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF THE ARMY, ON BEHALF OF U.S. (US) | 2010-12-16 | — | — | WO | disclosed |