⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8978632 | 0.86 | HTR2C (0.33) | — | |
| SCHEMBL8978758 | 0.74 | HTR2A (0.36) | — | |
| SCHEMBL8978715 | 0.70 | — | — | |
| SCHEMBL27456398 | 0.67 | HTR2C (0.34) | — | |
| SCHEMBL8627045 | 0.66 | HTR2C (0.43) | — | |
| SCHEMBL8823966 | 0.65 | HTR2A (0.40) | — | |
| SCHEMBL8823947 | 0.63 | NQO2 (0.41) | — | |
| SCHEMBL8978638 | 0.61 | — | — | |
| SCHEMBL16540125 | 0.56 | SLC6A4 (0.67) | — | |
| SCHEMBL20684832 | 0.56 | GABRA1 (0.48) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5521188-A | Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-05-28 | — | — | US | disclosed |
| EP-0645385-A1 | Antimigraine cyclobutenedione derivatives of indolylalkyl-pyridinyl and pyrimidinylpiperazines | Bristol-Myers Squibb Company (US) | 1995-03-29 | — | — | EP | disclosed |