⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10103797 | 0.93 | — | — | |
| SCHEMBL13626909 | 0.91 | — | — | |
| SCHEMBL13626915 | 0.86 | PDGFRB (0.32) | — | |
| SCHEMBL10111283 | 0.85 | — | — | |
| SCHEMBL14802213 | 0.84 | — | — | |
| SCHEMBL10103802 | 0.84 | — | — | |
| SCHEMBL12071860 | 0.81 | DRD1 (0.31) | — | |
| SCHEMBL13627040 | 0.80 | — | — | |
| SCHEMBL13626918 | 0.80 | MAPT (0.32) | — | |
| SCHEMBL14579607 | 0.78 | HTR2C (0.33) | — |
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-7615645-B2 | Method for the continuous production of aldehydes | BASF AKTIENGESELLSCHAFT (DE) | 2009-11-10 | — | — | US | disclosed |
| US-7615645-B2 | Method for the continuous production of aldehydes | BASF AKTIENGESELLSCHAFT (DE) | 2009-11-10 | — | — | US | disclosed |