⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5781 | 0.87 | — | — | |
| Methoxymethane SCHEMBL10607912 | 0.82 | — | — | |
| Water SCHEMBL29451037 | 0.82 | — | — | |
| SCHEMBL6747102 | 0.82 | — | — | |
| SCHEMBL28542822 | 0.82 | — | — | |
| Ammonia Solution, Strong SCHEMBL10903437 | 0.82 | — | — | |
| SCHEMBL3872248 | 0.82 | — | — | |
| SCHEMBL28801014 | 0.78 | — | — | |
| Methoxyamine SCHEMBL6298260 | 0.75 | — | — | |
| Sulfur Dioxide SCHEMBL28314237 | 0.72 | TSHR (0.30) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0720755-A1 | METHOD FOR PREPARING NEGATIVE-WORKING WASH-OFF RELIEF IMAGES AND NON-PHOTOSENSITIVE ELEMENTS FOR USE THEREIN | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-07-10 | — | — | EP | claimed |
| WO-1996000931-A1 | METHOD FOR PREPARING NEGATIVE-WORKING WASH-OFF RELIEF IMAGES AND NON-PHOTOSENSITIVE ELEMENTS FOR USE THEREIN | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1996-01-11 | — | — | WO | claimed |