⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8852201 | 0.86 | — | — | |
| SCHEMBL7626584 | 0.74 | NOS3 (0.42) | — | |
| SCHEMBL7626588 | 0.74 | NOS3 (0.42) | — | |
| SCHEMBL7630106 | 0.72 | NOS1 (0.48) | — | |
| SCHEMBL7625495 | 0.71 | NOS3 (0.39) | — | |
| SCHEMBL7627673 | 0.71 | NOS3 (0.39) | — | |
| SCHEMBL8153901 | 0.69 | — | — | |
| SCHEMBL8981418 | 0.67 | NOS3 (0.36) | — | |
| SCHEMBL7626912 | 0.67 | NOS3 (0.32) | — | |
| SCHEMBL7619947 | 0.67 | NOS1 (0.56) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118103369-A | Pyridolactam derivatives, preparation method and application thereof | 浙江海正药业股份有限公司 | 2024-05-28 | — | — | CN | disclosed |
| WO-2023030478-A1 | PYRIDOLACTAM DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 浙江海正药业股份有限公司 | 2023-03-09 | — | — | WO | disclosed |
| WO-2023030478-A1 | PYRIDOLACTAM DERIVATIVE, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 浙江海正药业股份有限公司 | 2023-03-09 | — | — | WO | disclosed |
| EP-0789571-A4 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO INC (US) | 1999-04-14 | — | — | EP | disclosed |
| EP-0789571-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | Merck & Co., Inc. (US) | 1997-08-20 | — | — | EP | disclosed |
| US-5629322-A | TREATMENT OF NEURODEGENERATIVE DISORDERS, DISORDERS OF GASTROINTESTINAL MOTILITY AND INFLAMMATION | MERCK & CO., INC. (US) | 1997-05-13 | — | — | US | disclosed |
| WO-1996014844-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-05-23 | — | — | WO | disclosed |