⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL28032772 | 0.97 | — | — | |
| SCHEMBL7356906 | 0.82 | — | — | |
| SCHEMBL9636715 | 0.82 | LMNA (0.47) | — | |
| SCHEMBL592886 | 0.79 | — | — | |
| SCHEMBL21785 | 0.78 | — | — | |
| Water SCHEMBL27638476 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL28172272 | 0.73 | — | — | |
| Urea SCHEMBL11078143 | 0.73 | ALDH1A1 (0.60) | — | |
| SCHEMBL9056052 | 0.73 | — | — | |
| Ammonia Solution, Strong SCHEMBL28971513 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6951947-B2 | Labeled peptides, proteins and antibodies and processes and intermediates useful for their preparation | THE SCRIPPS RESEARCH INSTITUTE (US) | 2005-10-04 | — | — | US | claimed |
| EP-2626348-A1 | Heterocyclic amides as rock inhibitors | Amakem NV (BE) | 2013-08-14 | — | — | EP | disclosed |
| US-4153775-A | DIHYDROXY MASKED DIISOCYANATE | BAYER AKTIENGESELLSCHAFT (DE) | 1979-05-08 | — | — | US | disclosed |
| US-4145512-A | Permanently stabilized polyurethanes | BAYER AKTIENGESELLSCHAFT (DE) | 1979-03-20 | — | — | US | disclosed |
| US-4073746-A | Mixtures of α,α'-bis-(2-hydroxy-3,5-dialkylphenyl)-p-and -m-diisopropylbenzenes, a process for the preparation thereof and the use thereof as stabilizers | BAYER AKTIENGESELLSCHAFT (DT) | 1978-02-14 | — | — | US | disclosed |
| US-3938996-A | Process for developing light-sensitive silver halide photographic materials | KONISHIROKU PHOTO INDUSTRY CO. LTD. (JA) | 1976-02-17 | — | — | US | disclosed |