⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5032184 | 0.89 | TAAR1 (0.31) | — | |
| SCHEMBL2018393 | 0.79 | TAAR1 (0.36) | — | |
| SCHEMBL1491800 | 0.76 | ALDH1A1 (0.38) | — | |
| SCHEMBL23286140 | 0.76 | CALM1 (0.43) | — | |
| SCHEMBL5027800 | 0.73 | GBA1 (0.31) | — | |
| SCHEMBL3078658 | 0.72 | CALM1 (0.39) | — | |
| SCHEMBL5030489 | 0.71 | PLA2G1B (0.33) | — | |
| SCHEMBL1828313 | 0.69 | LMNA (0.33) | — | |
| SCHEMBL11224081 | 0.69 | LMNA (0.33) | — | |
| SCHEMBL76560 | 0.68 | LMNA (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2049124-A2 | PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | Merck & Co., Inc. (US) | 2009-04-22 | — | — | EP | disclosed |
| EP-1981888-A2 | INHIBITORS OF TYROSINE KINASES AND USES THEREOF | Pharmacyclics, Inc. (US) | 2008-10-22 | — | — | EP | disclosed |
| WO-2008090570-A1 | NOVEL ANTIMICROBIALS | PANACEA BIOTEC LTD (IN) | 2008-07-31 | — | — | WO | disclosed |
| WO-2008010985-A2 | PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | MERCK & CO., INC. (US) | 2008-01-24 | — | — | WO | disclosed |
| WO-2007087068-A2 | INHIBITORS OF TYROSINE KINASES AND USES THEREOF | PHARMACYCLICS, INC. (US) | 2007-08-02 | — | — | WO | disclosed |