⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9057118 | 1.00 | — | — | |
| SCHEMBL8326354 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL9055392 | 0.98 | FUCA1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8063348 | 0.98 | FUCA1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8063350 | 0.98 | FUCA1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL8322783 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL8065919 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL8328804 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL8051191 | 0.76 | — | — | |
| SCHEMBL8324339 | 0.73 | — | — |
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-0789571-A4 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO INC (US) | 1999-04-14 | — | — | EP | claimed |
| EP-0789571-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | Merck & Co., Inc. (US) | 1997-08-20 | — | — | EP | claimed |
| WO-1996014844-A1 | CYCLIC AMIDINE ANALOGS AS INHIBITORS OF NITRIC OXIDE SYNTHASE | MERCK & CO., INC. (US) | 1996-05-23 | — | — | WO | claimed |
| 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 |