⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1443148 | 0.76 | — | — | |
| SCHEMBL38504 | 0.76 | — | — | |
| Water SCHEMBL27659125 | 0.76 | — | — | |
| SCHEMBL27852903 | 0.74 | — | — | |
| SCHEMBL8671494 | 0.71 | TAAR1 (0.71) | — | |
| SCHEMBL17036493 | 0.69 | DRD2 (0.41) | — | |
| SCHEMBL38654726 | 0.69 | GRM5 (0.50) | — | |
| SCHEMBL9855401 | 0.67 | TAAR1 (0.65) | — | |
| SCHEMBL120232 | 0.67 | — | — | |
| SCHEMBL453914 | 0.67 | — | — |
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-1555266-B1 | REMEDIES OR PREVENTIVES FOR URINARY INCONTINENCE AND MORPHINAN DERIVATIVES HAVING NITROGEN-CONTAINING HETEROCYCLIC GROUP | TORAY INDUSTRIES (JP) | 2014-05-21 | — | — | EP | claimed |
| EP-1140828-B1 | 3-AZABICYCLO¬3.1.0|HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS | PFIZER LTD (GB) | 2006-08-09 | — | — | EP | claimed |
| CN-115947651-A | Method for preparing tropinone compound | 中国中医科学院中药研究所 | 2023-04-11 | — | — | CN | disclosed |
| US-20100069244-A1 | Pyridine Compounds for Combating Pests | BASF SE (DE) | 2010-03-18 | — | — | US | disclosed |
| WO-2007102679-A1 | NOVEL THIENOPYRIMIDINE DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME | JE IL PHARMACEUTICAL CO., LTD. (KR) | 2007-09-13 | — | — | WO | disclosed |
| EP-0555153-A1 | Pyrethrinoide esters, derivatives of furan- or thiophenalcohol, process for their preparation and application thereof as pesticides | ROUSSEL UCLAF (FR) | 1993-08-11 | — | — | EP | disclosed |