⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6227802 | 0.74 | — | — | |
| SCHEMBL2774457 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28931320 | 0.72 | KDM4E (0.45) | — | |
| Hydrochloric Acid SCHEMBL11770269 | 0.72 | KDM4E (0.41) | — | |
| SCHEMBL10518755 | 0.72 | — | — | |
| SCHEMBL6142487 | 0.72 | — | — | |
| SCHEMBL9298097 | 0.72 | — | — | |
| SCHEMBL3948402 | 0.72 | — | — | |
| SCHEMBL4156624 | 0.72 | — | — | |
| SCHEMBL6480730 | 0.72 | L3MBTL1 (0.41) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200216403-A1 | HERBICIDALLY ACTIVE 3-PHENYLISOXAZOLINE-5-CARBOXAMIDES OF TETRAHYDRO- AND DIHYDROFURANCARBOXAMIDES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2020-07-09 | — | — | US | disclosed |
| US-5637731-A | CHOLINERGIC AGENTS | AMERICAN HOME PRODUCTS CORPORATION (US) | 1997-06-10 | — | — | US | disclosed |
| US-5550257-A | TREATING CENTRAL CHOLINERGIC DYSFUNCTION | AMERICAN CYANAMID COMPANY (US) | 1996-08-27 | — | — | US | disclosed |