⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL177426 | 0.97 | — | — | |
| SCHEMBL9680430 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL3484568 | 0.94 | GSR (0.37) | — | |
| Hydrochloric Acid SCHEMBL3855667 | 0.94 | GSR (0.37) | — | |
| Hydrochloric Acid SCHEMBL958972 | 0.94 | — | — | |
| Oxalic Acid SCHEMBL5863163 | 0.90 | ALDH1A1 (0.35) | — | |
| SCHEMBL7131637 | 0.85 | GSR (0.42) | — | |
| SCHEMBL177924 | 0.83 | — | — | |
| Methacrylic Acid SCHEMBL27670122 | 0.82 | TDP1 (0.39) | — | |
| Trifluoroacetic Acid SCHEMBL5369290 | 0.82 | HTR5A (0.34) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0982986-A4 | COMPOSITIONS FOR SUSTAINED RELEASE OF A GAS | BERNARD TECHNOLOGIES INC (US) | 2003-08-13 | — | — | EP | disclosed |
| US-6046243-A | PROVIDING A LIQUID CONTAINING CARBOXYLIC ACID ESTER OF POLYHYDRIC ALCOHOL, MIXING PHOSPHORUS PENTAOXIDE INTO THE LIQUID TO FORM AN INTERMEDITAE, MIXING SILICATE OR SILANE INTO INTERMEDIATE TO FORM A PRODUCT, COOLING THE PRODUCT | BERNARD TECHNOLOGIES, INC. (US) | 2000-04-04 | — | — | US | disclosed |
| EP-0982986-A1 | COMPOSITIONS FOR SUSTAINED RELEASE OF A GAS | Bernard Technologies, Inc. (US) | 2000-03-08 | — | — | EP | disclosed |
| WO-1998052412-A1 | COMPOSITIONS FOR SUSTAINED RELEASE OF A GAS | BERNARD TECHNOLOGIES, INC. (US) | 1998-11-26 | — | — | WO | disclosed |