⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4734595 | 0.81 | HSP90AB1 (0.35) | — | |
| SCHEMBL5561175 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL8003108 | 0.77 | HSP90AB1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL5555790 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL22493220 | 0.77 | — | — | |
| SCHEMBL7080264 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL4734769 | 0.73 | MEN1 (0.34) | — | |
| SCHEMBL10954666 | 0.73 | — | — | |
| SCHEMBL10999113 | 0.73 | HRH4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL5775702 | 0.72 | ALDH1A1 (0.37) | — |
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-RE31926-E | Penicillins and salts thereof | BOEHRINGER INGELHEIM GMBH (DE) | 1985-06-25 | — | — | US | disclosed |
| US-4241056-A | ANTIBIOTICS | BOEHRINGER INGELHEIM GMBH (DE) | 1980-12-23 | — | — | US | disclosed |