⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21981138 | 0.86 | MEN1 (0.35) | — | |
| SCHEMBL8079683 | 0.78 | TSHR (0.32) | — | |
| SCHEMBL259973 | 0.75 | — | — | |
| SCHEMBL16660508 | 0.74 | CYP3A4 (0.39) | — | |
| SCHEMBL2784094 | 0.74 | MEN1 (0.32) | — | |
| SCHEMBL1075367 | 0.69 | CA12 (0.38) | — | |
| SCHEMBL3727014 | 0.67 | MEN1 (0.48) | — | |
| SCHEMBL7598035 | 0.66 | ALDH1A1 (0.39) | — | |
| SCHEMBL9705211 | 0.65 | MEN1 (0.41) | — | |
| SCHEMBL9705659 | 0.65 | MEN1 (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009024774-A1 | GAS SENSOR OPERATION WITH FEEDBACK CONTROL | THORN SECURITY LIMITED (GB) | 2009-02-26 | — | — | WO | disclosed |
| WO-2006088477-A2 | PHOTO-INDUCED SENSITIVITY AND SELECTIVITY OF SEMICONDUCTOR GAS SENSORS | MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) | 2006-08-24 | — | — | WO | disclosed |
| WO-1999060371-A2 | METHOD AND APPARATUS FOR DETECTING HAZARDOUS AGENTS | GERON CORPORATION (US) | 1999-11-25 | — | — | WO | disclosed |
| EP-0958001-A2 | METHOD FOR DESTROYING ENERGETIC MATERIALS | Commodore Applied Technologies, Inc. (US) | 1999-11-24 | — | — | EP | disclosed |
| WO-1998028045-A2 | METHOD FOR DESTROYING ENERGETIC MATERIALS | COMMODORE APPLIED TECHNOLOGIES, INC. (US) | 1998-07-02 | — | — | WO | disclosed |