⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21134090 | 0.90 | — | — | |
| SCHEMBL25445568 | 0.84 | PDK2 (0.32) | — | |
| SCHEMBL25445542 | 0.78 | MCL1 (0.33) | — | |
| SCHEMBL25445440 | 0.78 | ESR1 (0.35) | — | |
| SCHEMBL25445460 | 0.77 | ESR1 (0.35) | — | |
| SCHEMBL18759122 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL25445613 | 0.74 | MCL1 (0.31) | — | |
| SCHEMBL14515088 | 0.73 | PDK2 (0.41) | — | |
| SCHEMBL25444705 | 0.73 | PDK2 (0.41) | — | |
| SCHEMBL25445887 | 0.72 | PDK2 (0.40) | — |
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-10344217-B2 | Device for controlling the passage of energy, containing a dichroic dye compound | MERCK PATENT GMBH (DE) | 2019-07-09 | — | — | US | disclosed |