⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1580189 | 0.80 | CYP2D6 (0.38) | — | |
| SCHEMBL24376281 | 0.80 | — | — | |
| SCHEMBL27729676 | 0.76 | — | — | |
| SCHEMBL670346 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL27473452 | 0.74 | TET2 (0.50) | — | |
| Ammonia Solution, Strong SCHEMBL28630593 | 0.74 | TET2 (0.50) | — | |
| SCHEMBL4093622 | 0.74 | TET2 (0.50) | — | |
| SCHEMBL11879974 | 0.72 | — | — | |
| SCHEMBL9632175 | 0.72 | TET2 (0.58) | — | |
| SCHEMBL10555722 | 0.72 | — | — |
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-4182893-A | COMBATTING INTESTINAL, PULMONARY, AND HEPATIC PARASITES | MONTEDISON S.P.A. (IT) | 1980-01-08 | — | — | US | disclosed |