⚠ 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 | |
|---|---|---|---|---|
| Isobutane SCHEMBL7910872 | 0.82 | — | — | |
| Isobutane SCHEMBL11409032 | 0.82 | — | — | |
| Isobutane SCHEMBL3986587 | 0.82 | — | — | |
| SCHEMBL28399324 | 0.79 | — | — | |
| SCHEMBL4638041 | 0.78 | ALDH1A1 (0.46) | — | |
| SCHEMBL583176 | 0.78 | ALDH1A1 (0.42) | — | |
| SCHEMBL29208073 | 0.77 | TDP1 (0.57) | — | |
| SCHEMBL648762 | 0.77 | — | — | |
| SCHEMBL27649064 | 0.77 | — | — | |
| SCHEMBL28809843 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5153068-A | Discoloration inhibition | SEKISUI FINE CHEMICAL CO., LTD. (JP) | 1992-10-06 | — | — | US | disclosed |
| US-4766037-A | Photodegradable microcapsules | FUJI PHOTO FILM CO., LTD. (JP) | 1988-08-23 | — | — | US | disclosed |