⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4622133 | 1.00 | — | — | |
| SCHEMBL636786 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9125671 | 0.98 | TERT (0.39) | — | |
| SCHEMBL9126207 | 0.87 | DPP7 (0.43) | — | |
| SCHEMBL9140084 | 0.85 | USP2 (0.50) | — | |
| SCHEMBL9140089 | 0.85 | USP2 (0.50) | — | |
| SCHEMBL9124672 | 0.84 | ALDH1A2 (0.45) | — | |
| Hydrochloric Acid SCHEMBL8766670 | 0.83 | USP2 (0.48) | — | |
| Hydrochloric Acid SCHEMBL8766667 | 0.83 | USP2 (0.48) | — | |
| Hydrochloric Acid SCHEMBL9136048 | 0.83 | USP2 (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7045360-B2 | Method for analysis of reaction products | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2006-05-16 | — | — | US | disclosed |
| US-20020090728-A1 | Method for analysis of reaction products | PRESIDENT AND FELLOWS OF HARVARD COLLEGE | 2002-07-11 | — | — | US | disclosed |
| WO-2001057526-A1 | METHOD FOR ANALYSIS OF REACTION PRODUCTS | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2001-08-09 | — | — | WO | disclosed |