⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20679047 | 0.56 | — | — | |
| SCHEMBL2450352 | 0.55 | — | — | |
| SCHEMBL29374209 | 0.48 | — | — | |
| SCHEMBL7949567 | 0.46 | — | — | |
| Hydrochloric Acid SCHEMBL30129739 | 0.46 | — | — | |
| SCHEMBL29105082 | 0.46 | — | — | |
| SCHEMBL17099624 | 0.46 | — | — | |
| Hydrochloric Acid SCHEMBL20721240 | 0.44 | — | — | |
| SCHEMBL9849360 | 0.43 | — | — | |
| SCHEMBL15142606 | 0.43 | — | — |
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-55076861-A | — | — | None | — | — | JP | disclosed |
| JP-S5576861-A | PREPARATION OF 2,6-DIAMINO-4-PROPYL PYRIDINE | KOEI CHEM CO LTD | 1980-06-10 | — | — | JP | disclosed |