⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22994 | 0.96 | — | — | |
| SCHEMBL9100510 | 0.92 | — | — | |
| SCHEMBL11311289 | 0.92 | — | — | |
| SCHEMBL5553167 | 0.92 | — | — | |
| Butadiene SCHEMBL11317805 | 0.92 | ALDH1A1 (0.35) | — | |
| SCHEMBL10705758 | 0.89 | ALDH1A1 (0.41) | — | |
| Formaldehyde SCHEMBL16909961 | 0.86 | ALDH1A1 (0.37) | — | |
| SCHEMBL11325636 | 0.83 | ALDH1A1 (0.62) | — | |
| Bicarbonate SCHEMBL29245730 | 0.83 | ALDH1A1 (0.42) | — | |
| SCHEMBL28187043 | 0.81 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108603953-A | Light diffusing agent, light-diffusing resin composition and formed body | 三菱瓦斯化学株式会社 | 2018-09-28 | — | — | CN | disclosed |
| EP-2307468-A1 | TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN ISOTACTIC COPOLYMER OBTAINED BY HOMOGENOUS CATALYSIS | Pirelli Tyre S.P.A. (IT) | 2011-04-13 | — | — | EP | disclosed |
| WO-2010006655-A1 | TYRE AND CROSSLINKABLE ELASTOMERIC COMPOSITION COMPRISING AN ISOTACTIC COPOLYMER OBTAINED BY HOMOGENOUS CATALYSIS | PIRELLI TYRE S.P.A. (IT) | 2010-01-21 | — | — | WO | disclosed |