⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL840716 | 0.93 | — | — | |
| SCHEMBL15775971 | 0.86 | — | — | |
| SCHEMBL12028014 | 0.86 | — | — | |
| SCHEMBL15247170 | 0.84 | — | — | |
| SCHEMBL17902753 | 0.83 | — | — | |
| SCHEMBL16305216 | 0.83 | — | — | |
| SCHEMBL1628712 | 0.82 | MEN1 (0.39) | — | |
| SCHEMBL11886060 | 0.80 | — | — | |
| SCHEMBL14616987 | 0.80 | ALDH1A1 (0.33) | — | |
| SCHEMBL13871756 | 0.79 | — | — |
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-8870359-B2 | Carbon nanotube ink composition | NEC CORPORATION (JP) | 2014-10-28 | — | — | US | disclosed |
| US-20120127236-A1 | CARBON NANOTUBE INK COMPOSITION | NEC CORPORATION (JP) | 2012-05-24 | — | — | US | disclosed |