⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12522543 | 0.77 | NPSR1 (0.46) | — | |
| SCHEMBL4982425 | 0.74 | — | — | |
| SCHEMBL103430 | 0.74 | — | — | |
| SCHEMBL10993867 | 0.74 | — | — | |
| SCHEMBL2730627 | 0.72 | SPR (0.49) | — | |
| SCHEMBL10716348 | 0.72 | — | — | |
| SCHEMBL18774433 | 0.72 | — | — | |
| SCHEMBL1561807 | 0.72 | — | — | |
| SCHEMBL166515 | 0.72 | — | — | |
| SCHEMBL8582117 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110243892-A1 | Y-SHAPE BRANCHED HYDROPHILIC POLYMER DERIVATIVES, THEIR PREPARATION METHODS, CONJUGATES OF THE DERIVATIVES AND DRUG MOLECULES, AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE CONJUGATES | JI SHISHAN | 2011-10-06 | — | — | US | disclosed |
| US-8003089-B2 | such as triethanolamine with 2 hydroxyethyl groups derivatized with polyethylene glycol, and the amine group conjugated to drugs such as antitumor agent interferon | BEIJING JIANKAI TECHNOLOGY CO., LTD. (CN) | 2011-08-23 | — | — | US | disclosed |
| US-4518597-A | THROMBOSIS, ARTERIOSCLEROSIS, ANTITUMOR, ANTICOAGULANTS | DR. KARL THOMAE GMBH (DE) | 1985-05-21 | — | — | US | disclosed |