⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8879605 | 0.72 | ALDH1A1 (0.40) | — | |
| SCHEMBL1612134 | 0.71 | — | — | |
| SCHEMBL6954472 | 0.71 | TTR (0.44) | — | |
| SCHEMBL1312596 | 0.71 | CYP3A4 (0.32) | — | |
| SCHEMBL1611885 | 0.71 | — | — | |
| SCHEMBL1402630 | 0.67 | RAPGEF4 (0.33) | — | |
| SCHEMBL1609580 | 0.67 | — | — | |
| SCHEMBL11280219 | 0.67 | — | — | |
| SCHEMBL16707553 | 0.65 | MIF (0.42) | — | |
| SCHEMBL28951 | 0.63 | RAPGEF4 (0.59) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5691341-A | ANTILEUKEMIA AGENT | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1997-11-25 | — | — | US | disclosed |
| US-5464833-A | Anticarcinogenic agents, antiretrovirus agents or autoimmune diseases | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1995-11-07 | — | — | US | disclosed |
| EP-0623598-A1 | APOPTOSIS REGULATOR | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1994-11-09 | — | — | EP | disclosed |
| US-4415572-A | CARDIOTONIC AND INOTROPIC AGENTS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 1983-11-15 | — | — | US | disclosed |