⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10031019 | 0.80 | PKM (0.51) | — | |
| SCHEMBL91500 | 0.78 | — | — | |
| SCHEMBL12919512 | 0.77 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL208648 | 0.76 | — | — | |
| SCHEMBL131562 | 0.76 | — | — | |
| SCHEMBL8371077 | 0.76 | — | — | |
| SCHEMBL16848089 | 0.76 | — | — | |
| SCHEMBL7250089 | 0.76 | — | — | |
| SCHEMBL914923 | 0.76 | — | — | |
| SCHEMBL507355 | 0.76 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6562844-B2 | Attaching an olefin to a solid support; oxidizing the olefin to provide an epoxide functionality; opening the epoxide with an amine to form an amino alcohol; cyclizing the amino alcohol using a phosgene equivalent | PHARMACIA & UPJOHN COMPANY | 2003-05-13 | — | — | US | claimed |
| WO-2015002150-A1 | NOVEL COMPOUND, ORGANIC CATION TRANSPORTER 3 DETECTION AGENT, AND ORGANIC CATION TRANSPORTER 3 ACTIVITY INHIBITOR | 株式会社新日本科学 (JP) | 2015-01-08 | — | — | WO | disclosed |
| US-20070281937-A1 | Ion Channel Modulators | SCION PHARMACEUTICALS, INC. | 2007-12-06 | — | — | US | disclosed |
| US-20070203194-A1 | Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders | SCION PHARMACEUTICALS, INC. (US) | 2007-08-30 | — | — | US | disclosed |
| US-20070203194-A1 | Calcium channel modulators comprising 3-thio-4H-1,2,4-triazoles or S-oxides thereof; angina, hypertension, congestive heart failure, myocardial ischemia, arrhythmia, diabetes, urinary incontinence, stroke, pain, brain injury, or neuronal disorders | SCION PHARMACEUTICALS, INC. (US) | 2007-08-30 | — | — | US | disclosed |
| WO-2005087750-A1 | ION CHANNEL MODULATORS | WYETH (US) | 2005-09-22 | — | — | WO | disclosed |
| US-6156761-A | Substituted tetralone derivatives for enhancing cognition | MERCK SHARPE & DOHME LIMITED (GB) | 2000-12-05 | — | — | US | disclosed |
| EP-0182301-B1 | 3-SUBSTITUTED CARBACEPHEM AND CEPHEM COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1991-06-12 | — | — | EP | disclosed |
| US-4760060-A | 3-heteroaralkylthio carbacephem compounds and antibacterial pharmaceutical composition | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1988-07-26 | — | — | US | disclosed |
| US-4746736-A | THIENAMYCINS, BACTERICIDES | BRISTOL-MYERS COMPANY (US) | 1988-05-24 | — | — | US | disclosed |
| US-4732977-A | BACTERICIDES | BRISTOL MYERS COMPANY (US) | 1988-03-22 | — | — | US | disclosed |
| US-4644061-A | Carbapenem antibiotics | BRISTOL-MYERS COMPANY (US) | 1987-02-17 | — | — | US | disclosed |
| EP-0182301-A2 | 3-Substituted carbacephem and cephem compounds and pharmaceutical compositions | KYOWA HAKKO KOGYO CO., LTD. (JP) | 1986-05-28 | — | — | EP | disclosed |