⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3369428 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28411299 | 0.71 | — | — | |
| SCHEMBL9741303 | 0.69 | ALDH1A1 (0.69) | — | |
| Diphenylmethane SCHEMBL14763944 | 0.69 | CALM1 (1.00) | — | |
| Benzene SCHEMBL3440179 | 0.69 | ALDH1A1 (0.69) | — | |
| Diphenylmethane SCHEMBL3792579 | 0.69 | CALM1 (1.00) | — | |
| Diphenylmethane SCHEMBL1303 | 0.69 | CALM1 (1.00) | — | |
| Diphenylmethane SCHEMBL4361124 | 0.69 | CALM1 (1.00) | — | |
| SCHEMBL62125 | 0.69 | ALDH1A1 (0.69) | — | |
| SCHEMBL2867870 | 0.69 | CALM1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1159261-B1 | ANTIZYME MODULATORS AND THEIR USE | ORIDIGM CORP (US) | 2005-11-02 | — | — | EP | disclosed |
| EP-1159261-A2 | ANTIZYME MODULATORS AND THEIR USE | ORIDIGM CORPORATION (US) | 2001-12-05 | — | — | EP | disclosed |
| WO-2000046187-A2 | ANTIZYME MODULATORS AND THEIR USE | ORIDIGM CORPORATION (US) | 2000-08-10 | — | — | WO | disclosed |
| EP-0576603-A1 | PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN | MERCK & CO. INC. (US) | 1994-01-05 | — | — | EP | disclosed |