⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28673580 | 0.79 | TSHR (0.37) | — | |
| SCHEMBL2236617 | 0.77 | — | — | |
| SCHEMBL161898 | 0.75 | — | — | |
| SCHEMBL9293271 | 0.74 | — | — | |
| SCHEMBL2782941 | 0.74 | — | — | |
| Methane SCHEMBL9416768 | 0.74 | TSHR (0.33) | — | |
| SCHEMBL21785 | 0.73 | — | — | |
| SCHEMBL27521285 | 0.72 | TSHR (0.33) | — | |
| SCHEMBL6305312 | 0.72 | TSHR (0.38) | — | |
| Benzene SCHEMBL9416754 | 0.70 | MEN1 (0.35) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111542526-A | Condensed imidazole derivatives substituted by tertiary hydroxyl group as PI 3K-gamma inhibitor | 因赛特公司 | 2020-08-14 | — | — | CN | disclosed |
| EP-2533775-A1 | CARBONIC ANHYDRASE INHIBITORS | Universita' Degli Studi di Firenze (IT) | 2012-12-19 | — | — | EP | disclosed |
| WO-2011098610-A1 | CARBONIC ANHYDRASE INHIBITORS | UNIVERSITA DEGLI STUDI DI FIRENZE (IT) | 2011-08-18 | — | — | WO | disclosed |
| CN-100526399-C | Black ink and ink set for inkjet recording | FUJI PHOTO FILM CO LTD (JP) | 2009-08-12 | — | — | CN | disclosed |
| CN-1878844-A | Black ink and ink set for inkjet recording | FUJI PHOTO FILM CO LTD (JP) | 2006-12-13 | — | — | CN | disclosed |