⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28802427 | 0.76 | CHRM3 (0.35) | — | |
| SCHEMBL31097019 | 0.75 | CHRM3 (0.35) | — | |
| SCHEMBL29053322 | 0.74 | MEN1 (0.38) | — | |
| SCHEMBL23634093 | 0.71 | — | — | |
| SCHEMBL3770316 | 0.70 | MEN1 (0.32) | — | |
| SCHEMBL28788977 | 0.69 | CTSD (0.35) | — | |
| SCHEMBL11599653 | 0.69 | — | — | |
| SCHEMBL28464500 | 0.69 | GAA (0.30) | — | |
| SCHEMBL28238680 | 0.68 | — | — | |
| SCHEMBL8279057 | 0.68 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100240908-A1 | ACETYLENE COMPOUND | FUJIFILM CORPORATION (JP) | 2010-09-23 | — | — | US | disclosed |
| EP-2202221-A1 | ACETYLENE COMPOUND | Fujifilm Corporation (JP) | 2010-06-30 | — | — | EP | disclosed |
| US-6046206-A | Method of treating a patient having a precancerous lesions with amide quinazoline derivatives | CELL PATHWAYS, INC. (US) | 2000-04-04 | — | — | US | disclosed |
| US-5801180-A | ANTIISCHEMIC AGENTS AND CARDIOVASCULAR DISORDERS | EISAI CO., LTD. (JP) | 1998-09-01 | — | — | US | disclosed |
| US-5693652-A | Benzimidazoles for ischemic heart conditions | EISAI CO., LTD. (JP) | 1997-12-02 | — | — | US | disclosed |
| US-5576322-A | Anti-ischemic 2,4-diaminoquinazolines | EISAI CO., LTD. (JP) | 1996-11-19 | — | — | US | disclosed |
| EP-0607439-A1 | NITROGENOUS HETEROCYCLIC COMPOUND | Eisai Co., Ltd. (JP) | 1994-07-27 | — | — | EP | disclosed |