⚠ 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 | |
|---|---|---|---|---|
| Butane SCHEMBL57646 | 0.93 | — | — | |
| Butane SCHEMBL959497 | 0.93 | — | — | |
| Butane SCHEMBL5506966 | 0.86 | — | — | |
| Butane SCHEMBL3685383 | 0.86 | — | — | |
| Butane SCHEMBL11374840 | 0.86 | TSHR (0.40) | — | |
| Butane SCHEMBL10616978 | 0.86 | — | — | |
| Butane SCHEMBL8628663 | 0.84 | TSHR (0.50) | — | |
| Butane SCHEMBL1734106 | 0.84 | — | — | |
| Butane SCHEMBL9292387 | 0.84 | TSHR (0.50) | — | |
| Butane SCHEMBL3593 | 0.84 | — | — |
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-10393940-B2 | Compositions, optical component, system including an optical component, devices, and other products | SAMSUNG ELECTRONICS CO., LTD. (KR) | 2019-08-27 | — | — | US | disclosed |
| US-20180188436-A1 | COMPOSITIONS, OPTICAL COMPONENT, SYSTEM INCLUDING AN OPTICAL COMPONENT, DEVICES, AND OTHER PRODUCTS | SAMSUNG ELECTRONICS CO LTD (KR) | 2018-07-05 | — | — | US | disclosed |