⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27861550 | 1.00 | — | — | |
| SCHEMBL13392064 | 1.00 | — | — | |
| SCHEMBL8289943 | 0.81 | — | — | |
| SCHEMBL10272515 | 0.78 | — | — | |
| SCHEMBL25128810 | 0.78 | — | — | |
| SCHEMBL12327260 | 0.76 | — | — | |
| SCHEMBL12456034 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL23439849 | 0.74 | — | — | |
| SCHEMBL22427262 | 0.73 | — | — | |
| SCHEMBL17815444 | 0.73 | — | — |
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-9725597-B2 | Acid dyes, process for the production thereof and their use | DYSTAR COLOURS DISTRIBUTION GMBH (DE) | 2017-08-08 | — | — | US | disclosed |
| US-20150133617-A1 | CONJUGATED POLYMER COMPOUND | NATIONAL CHIAO TUNG UNIVERSITY (TW) | 2015-05-14 | — | — | US | disclosed |