⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13068448 | 0.75 | — | — | |
| SCHEMBL29502328 | 0.75 | — | — | |
| SCHEMBL9747522 | 0.73 | — | — | |
| SCHEMBL1475835 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL20210774 | 0.71 | CYP3A4 (0.39) | — | |
| SCHEMBL28319944 | 0.71 | — | — | |
| SCHEMBL28091401 | 0.71 | — | — | |
| SCHEMBL28320034 | 0.71 | — | — | |
| SCHEMBL9735549 | 0.71 | GAA (0.32) | — | |
| SCHEMBL15024769 | 0.71 | ALDH1A1 (0.38) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009050232-A1 | CGRP ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2009-04-23 | — | — | WO | disclosed |
| US-5084458-A | Bactericides, malaria and antitumor agents | SCHAPER KLAUS JUERGEN (DE) | 1992-01-28 | — | — | US | disclosed |
| US-4997835-A | Bactericides, malaria, antitumor | SCHAPER KLAUS JUERGEN (DE) | 1991-03-05 | — | — | US | disclosed |
| US-4787931-A | AGRICULTURE, COTTON DEFOLIATION | FMC CORPORATION (US) | 1988-11-29 | — | — | US | disclosed |
| EP-0138983-A4 | N-PHENYL-N'-(PYRIDINYL-N-OXIDE)UREA PLANT REGULATORS. | FMC CORP (US) | 1985-07-30 | — | — | EP | disclosed |
| EP-0138983-A1 | N-PHENYL-N'-(PYRIDINYL-N-OXIDE)UREA PLANT REGULATORS. | FMC CORP (US) | 1985-05-02 | — | — | EP | disclosed |
| WO-1984003884-A1 | N-PHENYL-N'-(PYRIDINYL-N-OXIDE)UREA PLANT REGULATORS | FMC CORP (US) | 1984-10-11 | — | — | WO | disclosed |