⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL554111 | 0.82 | ALDH1A1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL2935026 | 0.80 | ALDH1A1 (0.46) | — | |
| SCHEMBL3210769 | 0.78 | — | — | |
| SCHEMBL421824 | 0.77 | — | — | |
| SCHEMBL13494517 | 0.75 | — | — | |
| SCHEMBL9397896 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL1418707 | 0.73 | ALDH1A1 (0.56) | — | |
| SCHEMBL247694 | 0.73 | ALDH1A1 (0.56) | — | |
| Hydrochloric Acid SCHEMBL9394247 | 0.73 | — | — | |
| SCHEMBL1331989 | 0.73 | ALDH1A1 (0.62) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5814627-A | ANTIINFLAMMATORY AGENTS, ASTHMA; RHEUMATIC AND AUTOIMMUNE DISEASES; INHIBITORS OF LEUKOTRIENES, CYTOKINES, E.G. INTERLEUKINS, OXYGEN RADICALS AND PROTEASES | HOECHST AKTIENEGESELLSCHAFT (DE) | 1998-09-29 | — | — | US | disclosed |
| US-5006515-A | Immunology disorders, antitumor agent | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-04-09 | — | — | US | disclosed |