⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8953869 | 0.77 | — | — | |
| SCHEMBL11077524 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL27912342 | 0.67 | — | — | |
| SCHEMBL9765937 | 0.67 | — | — | |
| SCHEMBL6364418 | 0.67 | — | — | |
| SCHEMBL14119543 | 0.67 | — | — | |
| SCHEMBL6302704 | 0.67 | — | — | |
| SCHEMBL14119513 | 0.67 | — | — | |
| SCHEMBL3145995 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL12299444 | 0.64 | ALDH1A1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6127420-A | SELECTIVE, IRREVERSIBLE INHIBITORS OF NEURONAL ISOFORM OF NITRIC OXIDE SYNTHASE PRODUCING NITRIC OXIDE; MIGRAINE HEADACHES, STROKE, PAIN INCLUDING CHRONIC VISCERAL PAIN, DRUG ADDICTION, PARKINSON'S DISEASE, SCHIZOPHRENIA, ANTIEPILEPTIC | THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) | 2000-10-03 | — | — | US | disclosed |
| EP-0649303-B1 | SUBSTITUTED ARGININES AND SUBSTITUTED HOMOARGININES AND USE THEREOF | CORNELL RES FOUNDATION INC (US) | 1998-11-25 | — | — | EP | disclosed |
| US-5663364-A | Heme binding compounds and use thereof | THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) | 1997-09-02 | — | — | US | disclosed |
| US-5464858-A | Heme binding compounds and use thereof | THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) | 1995-11-07 | — | — | US | disclosed |
| US-5453441-A | Enzyme inhibitors and hypertensive agents | CORNELL RESEARCH FOUNDATION, INC. (US) | 1995-09-26 | — | — | US | disclosed |
| US-5424447-A | Heme binding compounds and use thereof | THE MEDICAL COLLEGE OF WISCONSIN RESEARCH FOUNDATION, INC. (US) | 1995-06-13 | — | — | US | disclosed |
| US-5281627-A | Guanidine substituted arginines | CORNELL RESEARCH FOUNDATION, INC. (US) | 1994-01-25 | — | — | US | disclosed |