⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2156256 | 1.00 | — | — | |
| SCHEMBL22987448 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL22979117 | 0.98 | SMYD3 (0.47) | — | |
| Hydrochloric Acid SCHEMBL22979118 | 0.98 | SMYD3 (0.47) | — | |
| SCHEMBL15906217 | 0.92 | EPHX1 (0.50) | — | |
| SCHEMBL22629584 | 0.92 | EPHX1 (0.50) | — | |
| SCHEMBL13457996 | 0.92 | EPHX2 (0.54) | — | |
| SCHEMBL15906216 | 0.92 | EPHX1 (0.50) | — | |
| SCHEMBL13458124 | 0.92 | EPHX2 (0.54) | — | |
| SCHEMBL268852 | 0.91 | ATM (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110511213-B | Immunomodulator | 成都先导药物开发股份有限公司 | 2021-10-19 | — | — | CN | disclosed |
| CN-110511213-A | A kind of immunomodulator | CHENGDU HITGEN DEV CO LTD | 2019-11-29 | — | — | CN | disclosed |
| EP-2361242-B1 | OXIDASE INHIBITORS AND THEIR USE | ORYZON GENOMICS SA (ES) | 2018-08-01 | — | — | EP | disclosed |
| WO-2014144100-A2 | SGC STIMULATORS | NAKAI TAKASHI (US) | 2014-09-18 | — | — | WO | disclosed |
| US-7807686-B2 | 2-(4-oxo-4H-quinazolin-3-yl)acetamides and their use as vasopressin V3 antagonists | N.V. ORGANON (NL) | 2010-10-05 | — | — | US | disclosed |
| US-20080214553-A1 | 2-(4-Oxo-4H-Quinazolin-3-Yl) Acetamides and Their Use as Vasopressin V3 Antagonists | MERCK SHARP & DOHME B.V. (NL) | 2008-09-04 | — | — | US | disclosed |