⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2008926 | 0.84 | — | — | |
| SCHEMBL17188592 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL984482 | 0.81 | LOX (0.44) | — | |
| SCHEMBL2205767 | 0.79 | NFKB1 (0.40) | — | |
| SCHEMBL11753833 | 0.78 | — | — | |
| SCHEMBL3681305 | 0.78 | — | — | |
| SCHEMBL14952764 | 0.78 | — | — | |
| SCHEMBL11671454 | 0.78 | — | — | |
| SCHEMBL11718447 | 0.78 | — | — | |
| SCHEMBL4544183 | 0.76 | — | — |
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-2012010641-A2 | PHARMACEUTICAL COMPOSITION FOR INCREASING CELLULAR HYPOXIC TOLERANCE | UNIVERSITE DE NICE SOPHIA ANTIPOLIS (FR) | 2012-01-26 | — | — | WO | disclosed |
| US-4136092-A | SUBSTITUTED DI- OR TRIAMINO-S-TRIAZINES | THIOKOL CORPORATION (US) | 1979-01-23 | — | — | US | disclosed |
| US-4009208-A | N,N'-HEPTAMETHYLENEBIS(4-METHOXYBENZAMIDE) | STERLING DRUG INC. (US) | 1977-02-22 | — | — | US | disclosed |