⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5933494 | 0.81 | HTR2A (0.31) | — | |
| SCHEMBL19397732 | 0.76 | TDP1 (0.39) | — | |
| SCHEMBL19397723 | 0.76 | TDP1 (0.39) | — | |
| SCHEMBL5127682 | 0.76 | TDP1 (0.39) | — | |
| SCHEMBL2162408 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL18539403 | 0.70 | — | — | |
| SCHEMBL3448074 | 0.70 | — | — | |
| SCHEMBL240756 | 0.68 | — | — | |
| SCHEMBL20024603 | 0.68 | — | — | |
| SCHEMBL1348892 | 0.67 | — | — |
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-5958990-A | SALT OF THE REACTION PRODUCT OF A CARBOXYLIC ACID ANHYDRIDE AND A PRIMARY OR SECONDARY AMINE. | AIR PRODUCTS AND CHEMICALS, INC. (US) | 1999-09-28 | — | — | US | disclosed |