⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5468304 | 0.75 | — | — | |
| SCHEMBL907941 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL4412661 | 0.62 | — | — | |
| Sulfuric Acid SCHEMBL11134955 | 0.59 | RAD52 (0.31) | — | |
| SCHEMBL17140372 | 0.56 | — | — | |
| Hydrochloric Acid SCHEMBL4707137 | 0.55 | — | — | |
| SCHEMBL15030744 | 0.54 | — | — | |
| SCHEMBL4562815 | 0.53 | — | — | |
| SCHEMBL5865621 | 0.52 | — | — | |
| SCHEMBL6565468 | 0.49 | — | — |
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-5955617-A | ALSO FOR TREATMENT OF IMPAIRED GLUCOSE TOLERANCE, OBESITY | PHARMACIA & UPJOHN COMPANY (US) | 1999-09-21 | — | — | US | disclosed |