⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL30922986 | 0.97 | SLC18A3 (0.41) | — | |
| SCHEMBL3278742 | 0.85 | SLC18A3 (0.45) | — | |
| SCHEMBL2336833 | 0.81 | — | — | |
| SCHEMBL11350359 | 0.70 | — | — | |
| SCHEMBL728782 | 0.69 | — | — | |
| SCHEMBL72375 | 0.69 | — | — | |
| SCHEMBL731350 | 0.69 | — | — | |
| SCHEMBL8637745 | 0.68 | — | — | |
| SCHEMBL2148328 | 0.68 | — | — | |
| SCHEMBL1874509 | 0.68 | — | — |
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-2023159087-A1 | QUINAZOLINE COMPOUNDS AND USE THEREOF AS INHIBTORS OF MUTANT KRAS PROTEINS | AMGEN INC. (US) | 2023-08-24 | — | — | WO | disclosed |
| EP-1567477-A1 | SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS | Novartis AG (CH) | 2005-08-31 | — | — | EP | disclosed |
| EP-1551832-A1 | 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LTD. (GB) | 2005-07-13 | — | — | EP | disclosed |
| WO-2004048314-A1 | SUBSTITUTED AMINO PHENYLACETIC ACIDS, DERIVATIVES THEREOF, THEIR PREPARATION AND THEIR USE AS CYCLOOXYGENASE 2 (COX-2) INHIBITORS | NOVARTIS AG (CH) | 2004-06-10 | — | — | WO | disclosed |
| WO-2004031185-A1 | 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS | MERCK SHARP & DOHME LIMITED (GB) | 2004-04-15 | — | — | WO | disclosed |
| EP-0863875-A1 | NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY | F. HOFFMANN-LA ROCHE AG (CH) | 1998-09-16 | — | — | EP | disclosed |
| WO-1997009311-A1 | NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY | F. HOFFMANN-LA ROCHE AG (CH) | 1997-03-13 | — | — | WO | disclosed |