⚠ 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 | |
|---|---|---|---|---|
| Propanol SCHEMBL3607068 | 1.00 | ALDH1A1 (0.54) | — | |
| Propanol SCHEMBL10009691 | 1.00 | ALDH1A1 (0.54) | — | |
| Propanol SCHEMBL29500448 | 0.94 | — | — | |
| Propanol SCHEMBL15524986 | 0.94 | ALDH1A1 (0.58) | — | |
| Propanol SCHEMBL29558344 | 0.94 | — | — | |
| Propanol SCHEMBL29500439 | 0.94 | — | — | |
| Propanol SCHEMBL1478 | 0.94 | — | — | |
| Propanol SCHEMBL8328980 | 0.94 | ALDH1A1 (0.58) | — | |
| Propanol SCHEMBL1133211 | 0.94 | — | — | |
| Propanol SCHEMBL12614801 | 0.94 | ALDH1A1 (0.58) | — |
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-2844694-A1 | RUBBER FORMULATIONS INCLUDING GRAPHENIC CARBON PARTICLES | PPG Industries Ohio, Inc. (US) | 2015-03-11 | — | — | EP | disclosed |
| WO-2013165677-A1 | RUBBER FORMULATIONS INCLUDING GRAPHENIC CARBON PARTICLES | PPG INDUSTRIES OHIO, INC. (US) | 2013-11-07 | — | — | WO | disclosed |