⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28895612 | 0.85 | — | — | |
| SCHEMBL8817763 | 0.71 | GNAI3 (0.35) | — | |
| SCHEMBL8655455 | 0.71 | SOS1 (0.32) | — | |
| SCHEMBL19717818 | 0.70 | — | — | |
| SCHEMBL28142685 | 0.69 | SOS1 (0.47) | — | |
| SCHEMBL7026604 | 0.69 | SOS1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL20168209 | 0.68 | KMT2A (0.40) | — | |
| SCHEMBL10607764 | 0.68 | — | — | |
| SCHEMBL6838356 | 0.67 | TSHR (0.35) | — | |
| SCHEMBL29991013 | 0.67 | CA2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-61176579-A | — | — | None | — | — | JP | disclosed |
| JP-S61176579-A | PIPERAZINE DERIVATIVE | ROLLER JAPAN KK | 1986-08-08 | — | — | JP | disclosed |