⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16848538 | 0.77 | HDAC1 (0.31) | — | |
| SCHEMBL16848540 | 0.75 | TYMS (0.36) | — | |
| SCHEMBL21524805 | 0.70 | ESR1 (0.38) | — | |
| SCHEMBL16848542 | 0.69 | — | — | |
| SCHEMBL16848541 | 0.68 | — | — | |
| SCHEMBL21524804 | 0.66 | POLB (0.40) | — | |
| SCHEMBL21524848 | 0.63 | HSP90AA1 (0.33) | — | |
| SCHEMBL16848517 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL22416323 | 0.62 | ESR1 (0.43) | — | |
| SCHEMBL21524842 | 0.61 | POLB (0.32) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150179714-A1 | Crosslinkable, /Polymerizable and Combinations Thereof Charge-transporting Molecular Glass Mixtures, Luminescent Molecular Glass Mixtures, or Combinations Thereof for Organic Light Emitting Diodes and other Organic Electronics and Photonics Applications and Mothod of Making Same. | Molaire Consulting | 2015-06-25 | — | — | US | disclosed |