⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4382101 | 1.00 | — | — | |
| Phosphine SCHEMBL10749768 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL28481611 | 0.95 | — | — | |
| SCHEMBL3113196 | 0.78 | ALDH1A1 (0.36) | — | |
| SCHEMBL1449926 | 0.63 | — | — | |
| SCHEMBL2839857 | 0.60 | — | — | |
| SCHEMBL1360009 | 0.60 | — | — | |
| SCHEMBL1328 | 0.59 | — | — | |
| SCHEMBL23732 | 0.59 | — | — | |
| SCHEMBL8852489 | 0.59 | TSHR (0.54) | — |
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-20090264277-A1 | Picoscale catalysts for hydrogen catalysis | Raj, Dr. Rishi (US) | 2009-10-22 | — | — | US | disclosed |