⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL502595 | 0.97 | — | — | |
| Ammonia Solution, Strong SCHEMBL7758144 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL10803110 | 0.95 | — | — | |
| Methylamine SCHEMBL28810333 | 0.91 | HDAC2 (0.52) | — | |
| SCHEMBL570578 | 0.90 | — | — | |
| SCHEMBL1628262 | 0.88 | HDAC2 (0.57) | — | |
| SCHEMBL20184157 | 0.88 | HDAC2 (0.57) | — | |
| SCHEMBL11169395 | 0.88 | HDAC2 (0.57) | — | |
| SCHEMBL518453 | 0.88 | HDAC2 (0.57) | — | |
| Hydrochloric Acid SCHEMBL8599803 | 0.88 | HDAC2 (0.57) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5186940-A | Antitumor agents | THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1993-02-16 | — | — | US | disclosed |
| US-5178876-A | Antitumor agents | THE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1993-01-12 | — | — | US | disclosed |
| US-5041581-A | Antitumor agents | THE UNIVERSITY OF TEXAS SYSTEM BOARD OF REGENTS (US) | 1991-08-20 | — | — | US | disclosed |
| EP-0248036-A1 | HYDROPHOBIC CIS-PLATINUM COMPLEXES EFFICIENTLY INCORPORATED INTO LIPOSOMES. | UNIV TEXAS (US) | 1987-12-09 | — | — | EP | disclosed |
| WO-1987002364-A1 | HYDROPHOBIC CIS-PLATINUM COMPLEXES EFFICIENTLY INCORPORATED INTO LIPOSOMES | BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) | 1987-04-23 | — | — | WO | disclosed |