⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9213347 | 0.93 | ACAT1 (0.66) | — | |
| SCHEMBL9217701 | 0.93 | ACAT1 (0.66) | — | |
| SCHEMBL9212895 | 0.93 | ACAT1 (0.66) | — | |
| SCHEMBL9370618 | 0.93 | — | — | |
| SCHEMBL9370222 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL9370248 | 0.92 | — | — | |
| SCHEMBL9210387 | 0.91 | KDM4E (0.64) | — | |
| SCHEMBL9376463 | 0.90 | — | — | |
| SCHEMBL18106939 | 0.88 | KDM4E (0.64) | — | |
| SCHEMBL9215059 | 0.88 | KDM4E (0.64) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0626969-B1 | CoA-IT AND PAF INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2000-05-24 | — | — | EP | disclosed |
| US-5663053-A | COENZYME A TRANSACYLASE FOR SCREENING | SMITHKLINE BEECHAM CORPORATION (US) | 1997-09-02 | — | — | US | disclosed |
| US-5648373-A | CoA-IT and PAF inhibitors | SMITHKLINE BEECHAM CORPORATION (US) | 1997-07-15 | — | — | US | disclosed |
| EP-0626969-A4 | CoA-IT AND PAF INHIBITORS. | SMITHKLINE BEECHAM CORP (US) | 1995-04-19 | — | — | EP | disclosed |
| EP-0626969-A1 | CoA-IT AND PAF INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1994-12-07 | — | — | EP | disclosed |
| WO-1993016674-A1 | CoA-IT AND PAF INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 1993-09-02 | — | — | WO | disclosed |
| EP-0550502-A1 | SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1993-07-14 | — | — | EP | disclosed |
| WO-1992004330-A1 | SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1992-03-19 | — | — | WO | disclosed |