⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13051897 | 0.94 | CTSB (0.41) | — | |
| SCHEMBL8293449 | 0.94 | CTSB (0.41) | — | |
| SCHEMBL14159063 | 0.94 | CTSB (0.41) | — | |
| SCHEMBL13981170 | 0.93 | — | — | |
| SCHEMBL8281563 | 0.89 | CTSB (0.43) | — | |
| SCHEMBL16508713 | 0.85 | CYP3A4 (0.43) | — | |
| SCHEMBL6877935 | 0.85 | CYP3A4 (0.43) | — | |
| SCHEMBL10060996 | 0.85 | CYP3A4 (0.43) | — | |
| SCHEMBL10052378 | 0.85 | CYP3A4 (0.43) | — | |
| SCHEMBL13248787 | 0.84 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7183374-B2 | Method of removing transition metals | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-02-27 | — | — | US | disclosed |