⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL129287 | 0.73 | — | — | |
| SCHEMBL10517608 | 0.73 | — | — | |
| SCHEMBL16437708 | 0.68 | — | — | |
| SCHEMBL396257 | 0.64 | THRB (0.33) | — | |
| SCHEMBL14045232 | 0.61 | — | — | |
| SCHEMBL102566 | 0.61 | — | — | |
| SCHEMBL10706054 | 0.61 | — | — | |
| SCHEMBL3984914 | 0.59 | — | — | |
| SCHEMBL13890446 | 0.59 | ALDH1A1 (0.36) | — | |
| SCHEMBL13597972 | 0.58 | — | — |
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-5837871-A | PHOSPHONATE DERIVATIVES; ANTITUMOR AGENTS, VIRICIDES | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1998-11-17 | — | — | US | disclosed |
| US-5726174-A | VIRICIDES, ANTITUMOR AGENTS | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1998-03-10 | — | — | US | disclosed |
| US-5696265-A | ANTIRETROVIRAL; ANTITUNOR AGENT | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1997-12-09 | — | — | US | disclosed |
| US-5693798-A | ACTIVE AGAINST RETROVIRAL DISEASES; PROPHYLAXIS | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1997-12-02 | — | — | US | disclosed |
| US-5688778-A | VIRICIDES | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1997-11-18 | — | — | US | disclosed |
| US-5686611-A | Nucleoside analogs | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) | 1997-11-11 | — | — | US | disclosed |