⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9257694 | 0.84 | — | — | |
| SCHEMBL27771388 | 0.81 | PARP1 (0.46) | — | |
| SCHEMBL1886429 | 0.79 | ACHE (0.43) | — | |
| SCHEMBL29394350 | 0.78 | AGTR1 (0.57) | — | |
| SCHEMBL1895574 | 0.78 | PPARG (0.52) | — | |
| SCHEMBL8595641 | 0.76 | PARP1 (0.45) | — | |
| SCHEMBL9196627 | 0.73 | AGTR1 (0.55) | — | |
| SCHEMBL27771406 | 0.73 | ALDH1A1 (0.44) | — | |
| SCHEMBL27771413 | 0.72 | BRS3 (0.39) | — | |
| SCHEMBL1894561 | 0.72 | ACHE (0.45) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0655452-A1 | Triarylborane derivatives, their preparation and their use as intermediates | SYNTHELABO (FR) | 1995-05-31 | — | — | EP | disclosed |
| US-5405960-A | Triarylborane derivatives, their preparation and their use as synthesis intermediates | SYNTHELABO (FR) | 1995-04-11 | — | — | US | disclosed |
| US-5382672-A | Preparation of derivatives of benzeneborinic acid | SYNTHELABO (FR) | 1995-01-17 | — | — | US | disclosed |
| US-5374735-A | Triarylborane derivatives, their preparation and their use as synthesis intermediates | SYNTHELABO (FR) | 1994-12-20 | — | — | US | disclosed |
| US-5312920-A | Process for preparing 4-pyrimidinones | SYNTHELABO (FR) | 1994-05-17 | — | — | US | disclosed |
| EP-0593332-A1 | Phenylboronic acid derivatives, their preparation and their use as intermediates in syntheses | SYNTHELABO (FR) | 1994-04-20 | — | — | EP | disclosed |
| EP-0561664-A1 | Process for the preparation of 4-pyrimidines | SYNTHELABO (FR) | 1993-09-22 | — | — | EP | disclosed |