⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6716787 | 0.90 | CYP2A6 (0.32) | — | |
| SCHEMBL6717044 | 0.88 | TRPV1 (0.33) | — | |
| SCHEMBL6724421 | 0.88 | TRPV1 (0.32) | — | |
| SCHEMBL6155378 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL6720696 | 0.85 | MEN1 (0.39) | — | |
| Bromide SCHEMBL6154601 | 0.84 | ALDH1A1 (0.34) | — | |
| SCHEMBL6717125 | 0.82 | — | — | |
| SCHEMBL6724136 | 0.82 | — | — | |
| SCHEMBL6724314 | 0.82 | TRPV1 (0.45) | — | |
| SCHEMBL6717149 | 0.81 | — | — |
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-5847006-A | Therapeutic guanidines | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1998-12-08 | — | — | US | claimed |
| US-6673557-B2 | ADMINISTERING SUBSTITUED GUANIDINE COMPOUNDS FOR THERAPY OF DECREASED BLOOD FLOW OR NUTRIENT SUPPLY TO RETINAL TISSUE OR OPTIC NERVE, OR RETINAL ISCHEMIA OR TRAUMA, OR OPTIC NERVE INJURY | WYETH | 2004-01-06 | — | — | US | disclosed |
| US-20030027801-A1 | Methods of treatment of eye trauma and disorders | WYETH | 2003-02-06 | — | — | US | disclosed |
| US-6358696-B1 | ADMINISTERING THERAPEUTICALLY EFFECTIVE AMOUNT OF ONE OR MORE SUBSTITUTED GUANIDINES TO TREAT DECREASED BLOOD FLOW OR NUTRIENT SUPPLY TO RETINAL TISSUE OR OPTIC NERVE, OR RETINAL ISCHEMIA OR TRAUMA, OR OPTIC NERVE INJURY | WYETH | 2002-03-19 | — | — | US | disclosed |
| US-6242198-B1 | ADMINISTERING GUANIDINE COMPOUND | CAMBRIDGE NEUROSCIENCE, INC. | 2001-06-05 | — | — | US | disclosed |
| WO-1999002145-A1 | COMBINATION DRUG THERAPIES COMPRISING AMINOGLYCOSIDE ANTIBIOTICS AND N,N'-DISUBSTITUTED GUANIDINES | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1999-01-21 | — | — | WO | disclosed |
| US-5847006-A | Therapeutic guanidines | CAMBRIDGE NEUROSCIENCE, INC. (US) | 1998-12-08 | — | — | US | disclosed |