⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14948631 | 0.82 | NEK2 (0.32) | — | |
| SCHEMBL16111776 | 0.82 | NEK2 (0.32) | — | |
| SCHEMBL14948620 | 0.78 | MAPT (0.42) | — | |
| SCHEMBL16111545 | 0.78 | MAPT (0.42) | — | |
| SCHEMBL14948616 | 0.78 | MAPT (0.42) | — | |
| SCHEMBL16111536 | 0.77 | NEK2 (0.44) | — | |
| SCHEMBL14948615 | 0.77 | NEK2 (0.44) | — | |
| SCHEMBL14948638 | 0.77 | APP (0.33) | — | |
| SCHEMBL14948590 | 0.76 | — | — | |
| SCHEMBL14948642 | 0.76 | APP (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9171676-B2 | Organic colourant and uses thereof in photovoltaic cells | COMMISSARIAT {dot over (A)} L'ĖNERGIE ATOMIQUE ET AUX ÉNERGIES ALTERNATIVES (FR) | 2015-10-27 | — | — | US | disclosed |
| US-20140290748-A1 | ORGANIC COLOURANT AND USES THEREOF IN PHOTOVOLTAIC CELLS | COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) | 2014-10-02 | — | — | US | disclosed |