⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18377911 | 1.00 | FKBP5 (0.39) | — | |
| SCHEMBL7623417 | 0.97 | — | — | |
| SCHEMBL10070969 | 0.97 | — | — | |
| SCHEMBL12437160 | 0.90 | — | — | |
| SCHEMBL14191783 | 0.90 | — | — | |
| SCHEMBL11731881 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL11491266 | 0.87 | — | — | |
| SCHEMBL8949672 | 0.80 | GABRP (0.34) | — | |
| SCHEMBL11223666 | 0.75 | TSHR (0.42) | — | |
| SCHEMBL283680 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6448286-B1 | PREFERENTIALLY INHIBITS OR MODULATES INDUCIBLE OVER CONSTITUTIVE ISOFORM OF NITRIC OXIDE SYNTHASE; SIDE EFFECT REDUCTION | G.D. SEARLE & CO. | 2002-09-10 | — | — | US | disclosed |
| US-6071906-A | INHIBITS OR MODULATES THE INDUCIBLE ISOFORM OF NITRIC OXIDE SYNTHASE OVER THE THE CONSTITUTIVE ISOFORMS; ANTIARTHRITIC, -DIABETIC, ISCHEMIC, THROMBOSIS AGENTS; CARDIOVASCULAR DISORDERS; TOXIC SHOCK SYNDROME; AUTOIMMUNE DISEASES | G. D. SEARLE & CO. (US) | 2000-06-06 | — | — | US | disclosed |
| EP-0897912-A1 | Amidino derivatives useful as nitric oxide synthase inhibitors | G.D. SEARLE & CO. (US) | 1999-02-24 | — | — | EP | disclosed |
| US-5854234-A | Amidino dervatives useful as nitric oxide synthase inhibitors | G. D. SEARLE & CO. (US) | 1998-12-29 | — | — | US | disclosed |
| EP-0724570-A1 | AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G.D. SEARLE & CO. (US) | 1996-08-07 | — | — | EP | disclosed |
| WO-1995011231-A1 | AMIDINO DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | G. D. SEARLE & CO. (US) | 1995-04-27 | — | — | WO | disclosed |