⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6630125 | 0.74 | CYP2D6 (0.32) | — | |
| SCHEMBL6631011 | 0.72 | FABP3 (0.31) | — | |
| SCHEMBL8021010 | 0.71 | CYP2D6 (0.32) | — | |
| SCHEMBL6632637 | 0.71 | CYP2D6 (0.37) | — | |
| SCHEMBL8510149 | 0.71 | — | — | |
| SCHEMBL10921837 | 0.70 | TSHR (0.41) | — | |
| SCHEMBL6633977 | 0.69 | TTR (0.43) | — | |
| SCHEMBL6631123 | 0.68 | TSHR (0.33) | — | |
| SCHEMBL6635320 | 0.67 | CYP2D6 (0.31) | — | |
| SCHEMBL6630573 | 0.67 | CYP2D6 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112138157-A | Optically controlled granulocyte biological agent and preparation and application thereof | 同济大学 | 2020-12-29 | — | — | CN | claimed |
| US-6177561-B1 | Preparation of acid amides and metallization of compounds | DEUTSCHES KREBSFORSCHUNGSZENTRUM STIFTUNG DES OFFENTLICHEN RECHTS (DE) | 2001-01-23 | — | — | US | disclosed |