⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11066492 | 0.89 | CA1 (0.30) | — | |
| SCHEMBL8248622 | 0.78 | CA1 (0.33) | — | |
| Ethane SCHEMBL29150459 | 0.77 | CA1 (0.33) | — | |
| SCHEMBL10764234 | 0.76 | LMNA (0.34) | — | |
| SCHEMBL28753799 | 0.70 | CA1 (0.31) | — | |
| SCHEMBL10979646 | 0.70 | CA1 (0.39) | — | |
| SCHEMBL11069613 | 0.68 | ALDH1A1 (0.33) | — | |
| SCHEMBL8470487 | 0.67 | TAAR1 (0.44) | — | |
| SCHEMBL9559747 | 0.66 | TAAR1 (0.37) | — | |
| SCHEMBL14246851 | 0.66 | TDP1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101479049-B | Method for producing colour-and/or effect-imparting multicoat paint systems | BASF COATINGS AG | 2012-04-18 | — | — | CN | disclosed |
| CN-101479049-A | Method for the production of colour- or effect-giving multilayer coatings | BASF COATINGS AG (DE) | 2009-07-08 | — | — | CN | disclosed |