⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13010672 | 0.93 | TERT (0.31) | — | |
| SCHEMBL13010675 | 0.88 | — | — | |
| SCHEMBL13010662 | 0.86 | PIN1 (0.30) | — | |
| SCHEMBL13010671 | 0.84 | SHMT2 (0.32) | — | |
| SCHEMBL13010695 | 0.84 | CYP1B1 (0.32) | — | |
| SCHEMBL13010677 | 0.83 | SHMT2 (0.36) | — | |
| SCHEMBL13010679 | 0.81 | TERT (0.30) | — | |
| SCHEMBL13010686 | 0.81 | — | — | |
| SCHEMBL14817093 | 0.81 | CRHR1 (0.35) | — | |
| SCHEMBL12537304 | 0.79 | ALDH1A1 (0.35) | — |
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-8404844-B2 | Perylene semiconductors and methods of preparation and use thereof | BASF SE (DE) | 2013-03-26 | — | — | US | disclosed |
| US-20100319778-A1 | PERYLENE SEMICONDUCTORS AND METHODS OF PREPARATION AND USE THEREOF | BASF SE (DE) | 2010-12-23 | — | — | US | disclosed |