⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3158259 | 0.71 | — | — | |
| SCHEMBL14836778 | 0.67 | — | — | |
| SCHEMBL108946 | 0.67 | — | — | |
| SCHEMBL108945 | 0.67 | — | — | |
| SCHEMBL5931996 | 0.65 | — | — | |
| 2-Methylbutanal SCHEMBL21372552 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL4944379 | 0.63 | — | — | |
| SCHEMBL11520525 | 0.63 | — | — | |
| SCHEMBL8919394 | 0.63 | — | — | |
| SCHEMBL28440628 | 0.63 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0832937-B1 | Water-soluble perylene dyes, their preparation and use | CLARIANT GMBH (DE) | 2000-12-06 | — | — | EP | disclosed |
| US-5948910-A | Water-soluble perylene dyestuffs, their preparation and their use | CLARIANT GMBH (DE) | 1999-09-07 | — | — | US | disclosed |
| EP-0832937-A1 | Water-soluble perylene dyes, their preparation and use | Clariant GmbH (DE) | 1998-04-01 | — | — | EP | disclosed |