⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26026831 | 0.89 | TET2 (0.39) | — | |
| SCHEMBL713525 | 0.81 | — | — | |
| SCHEMBL73416 | 0.81 | TSHR (0.56) | — | |
| SCHEMBL6812384 | 0.79 | TSHR (0.44) | — | |
| SCHEMBL6812393 | 0.79 | TSHR (0.44) | — | |
| Hydrochloric Acid SCHEMBL929671 | 0.79 | LMNA (0.47) | — | |
| Hydrochloric Acid SCHEMBL112927 | 0.78 | TSHR (0.53) | — | |
| SCHEMBL3253463 | 0.78 | CA12 (0.36) | — | |
| SCHEMBL1396293 | 0.76 | — | — | |
| SCHEMBL2361759 | 0.76 | TSHR (0.50) | — |
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-20120041167-A1 | POLY(GLUTAMIC ACID)-DRUG CONJUGATE WITH AN AMINO ACID AS A LINKER | Institute of Pharmacology and Toxicology Academy of Military Mesical Sciences P.L.A. China | 2012-02-16 | — | — | US | disclosed |