⚠ 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 | |
|---|---|---|---|---|
| Hydrochlorthiazide SCHEMBL28346682 | 1.00 | — | — | |
| Hydrochlorthiazide SCHEMBL3110285 | 0.96 | — | — | |
| Hydrochlorthiazide SCHEMBL450348 | 0.96 | — | — | |
| Hydrochlorthiazide SCHEMBL9336266 | 0.96 | — | — | |
| Hydrochlorthiazide SCHEMBL6291 | 0.96 | — | — | |
| Hydrochlorthiazide SCHEMBL25294605 | 0.93 | — | — | |
| Hydrochlorthiazide SCHEMBL271146 | 0.93 | — | — | |
| Hydrochlorthiazide SCHEMBL250706 | 0.93 | — | — | |
| Hydrochlorthiazide SCHEMBL8407954 | 0.93 | — | — | |
| Hydrochlorthiazide SCHEMBL2498526 | 0.93 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016206101-A1 | METALLO-BETA-LACTAMASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2016-12-29 | — | — | WO | disclosed |
| EP-0709724-A2 | Silver halide emulsions with doped epitaxy | EASTMAN KODAK COMPANY (US) | 1996-05-01 | — | — | EP | disclosed |
| US-5462849-A | Host grain surface portions exhibit a face centered cubic crystal lattice structure containing a hexacoordination complex | EASTMAN KODAK COMPANY (US) | 1995-10-31 | — | — | US | disclosed |