⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL65108 | 0.71 | — | — | |
| Methane SCHEMBL27872321 | 0.69 | — | — | |
| Iodide SCHEMBL27655122 | 0.69 | — | — | |
| SCHEMBL7715835 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL7285171 | 0.69 | — | — | |
| SCHEMBL27150056 | 0.69 | — | — | |
| SCHEMBL4738008 | 0.69 | — | — | |
| SCHEMBL5439300 | 0.67 | — | — | |
| SCHEMBL11068278 | 0.67 | — | — | |
| SCHEMBL51532 | 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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0734383-A1 | CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS | ZENECA LIMITED (GB) | 1996-10-02 | — | — | EP | claimed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| WO-1999062899-A1 | TETRAHYDROINDOLONE DERIVATIVES AS GABAAALPHA5 LIGANDS FOR ENHANCING COGNITION | MERCK SHARP & DOHME LIMITED (GB) | 1999-12-09 | — | — | WO | disclosed |
| EP-0900223-A1 | THIENOPYRIDINE DERIVATIVES AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997040050-A1 | THIENOPYRIDINE DERIVATIVES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-10-30 | — | — | WO | disclosed |
| EP-0791000-A1 | THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 1997-08-27 | — | — | EP | disclosed |
| WO-1996037479-A1 | CYCLOHEXANONE OXIME DERIVATIVES | F. HOFFMANN LA ROCHE AG (CH) | 1996-11-28 | — | — | WO | disclosed |
| EP-0734383-A1 | CYCLIC AMIDE DERIVATIVES AS NEUROKININ A ANTAGONISTS | ZENECA LIMITED (GB) | 1996-10-02 | — | — | EP | disclosed |
| WO-1996014319-A1 | THIENOPYRIDINE OR THIENOPYRIMIDINE DERIVATIVES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-05-17 | — | — | WO | disclosed |
| EP-0506982-A1 | 1-AZABICYCLO 3.2.0]HEPT-2-ENE-2-CARBOXYLIC ACID COMPOUNDS | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1992-10-07 | — | — | EP | disclosed |
| US-4269773-A | CEPHALOSPORINS | SHIONOGI & CO., LTD. (JP) | 1981-05-26 | — | — | US | disclosed |
| US-4159984-A | METAL AND PROTON DONOR | SHIONOGI & CO., LTD. (JP) | 1979-07-03 | — | — | US | disclosed |