⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5154229 | 1.00 | — | — | |
| SCHEMBL8320721 | 1.00 | — | — | |
| SCHEMBL5321574 | 1.00 | — | — | |
| SCHEMBL8205902 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL28185007 | 0.97 | GAA (0.38) | — | |
| SCHEMBL15314573 | 0.85 | NCF1 (0.43) | — | |
| SCHEMBL18122007 | 0.85 | NCF1 (0.43) | — | |
| SCHEMBL18122006 | 0.85 | NCF1 (0.43) | — | |
| SCHEMBL16903308 | 0.84 | MAN2B1 (0.40) | — | |
| SCHEMBL20069032 | 0.82 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5872249-A | QUATERNIZATION, SALT FORMATION, AMINATION, DEALKYLATION | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1999-02-16 | — | — | US | claimed |
| WO-2019118358-A1 | HEPATITIS B CAPSID ASSEMBLY MODULATORS | VenatoRx Pharmaceuticals, Inc. (US) | 2019-06-20 | — | — | WO | disclosed |
| US-20110044938-A1 | TETRAHYDROBENZOTHIOPHENE DERIVATIVES | NYCOMED GMBH (DE) | 2011-02-24 | — | — | US | disclosed |
| WO-2007096740-A2 | NOVEL CEPHALOSPORINS | ORCHID RESEARCH LABORATORIES LIMITED (IN) | 2007-08-30 | — | — | WO | disclosed |
| US-5872249-A | QUATERNIZATION, SALT FORMATION, AMINATION, DEALKYLATION | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1999-02-16 | — | — | US | disclosed |
| US-5872249-A | QUATERNIZATION, SALT FORMATION, AMINATION, DEALKYLATION | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1999-02-16 | — | — | US | disclosed |
| US-5675003-A | ACTIVITY AGAINST STAPHYLOCOCCUS, ENTEROBACTER | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1997-10-07 | — | — | US | disclosed |
| US-5675003-A | ACTIVITY AGAINST STAPHYLOCOCCUS, ENTEROBACTER | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1997-10-07 | — | — | US | disclosed |
| US-5571909-A | ANTIBIOTICS | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1996-11-05 | — | — | US | disclosed |