⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7345447 | 1.00 | EPHX1 (0.45) | — | |
| SCHEMBL2216881 | 1.00 | — | — | |
| SCHEMBL15829236 | 1.00 | EPHX1 (0.45) | — | |
| SCHEMBL18869274 | 1.00 | EPHX1 (0.45) | — | |
| SCHEMBL10873364 | 1.00 | EPHX1 (0.45) | — | |
| SCHEMBL16007530 | 1.00 | EPHX1 (0.45) | — | |
| SCHEMBL11111508 | 1.00 | EPHX1 (0.45) | — | |
| Water SCHEMBL2965632 | 0.97 | EPHX1 (0.43) | — | |
| SCHEMBL9351268 | 0.96 | — | — | |
| Water SCHEMBL2318146 | 0.94 | EPHX1 (0.41) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1194424-B1 | PHOTOCHROMIC PYRAN DERIVATIVES | RODENSTOCK GMBH (DE) | 2004-10-06 | — | — | EP | claimed |
| US-5376666-A | Hypotensive agents, angiotension antagonist, enzyme inhibitors , treating congestive heart failure | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1994-12-27 | — | — | US | disclosed |
| US-5304652-A | Benzo-1,2,3-thiadiazole derivatives; fungicides | CIBA-GEIGY CORPORATION (US) | 1994-04-19 | — | — | US | disclosed |
| US-5268509-A | Catalyst prepared by oxidizing iron sponge | BAYER AKTIENGESELLSCHAFT (DE) | 1993-12-07 | — | — | US | disclosed |
| US-5229384-A | Microbiocides | CIBA-GEIGY CORPORATION (US) | 1993-07-20 | — | — | US | disclosed |
| EP-0225886-A1 | NEW PYRIDAZINE COMPOSITIONS, PRODUCTION PROCESS THEREOF AND FUNGICIDES AND ALGICIDES CONTAINING THEM. | CHEMIE LINZ AG (AT) | 1987-06-24 | — | — | EP | disclosed |
| WO-1986006719-A1 | NEW PYRIDAZINE COMPOSITIONS, PRODUCTION PROCESS THEREOF AND FUNGICIDES AND ALGICIDES CONTAINING THEM | CHEMIE LINZ AKTIENGESELLSCHAFT (AT) | 1986-11-20 | — | — | WO | disclosed |
| US-4229346-A | Production of hexamethylenimine | BASF AKTIENGESELLSCHAFT (DE) | 1980-10-21 | — | — | US | disclosed |