⚠ 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 | |
|---|---|---|---|---|
| Thiourea SCHEMBL9176415 | 0.87 | — | — | |
| Guanidine SCHEMBL19644046 | 0.85 | — | — | |
| Guanidine SCHEMBL28861357 | 0.81 | — | — | |
| Thiourea SCHEMBL9073670 | 0.81 | — | — | |
| Butyl Chloride SCHEMBL9177138 | 0.80 | — | — | |
| Thiourea SCHEMBL27672590 | 0.79 | — | — | |
| Thiourea SCHEMBL9168163 | 0.78 | TSHR (0.57) | — | |
| Thiourea SCHEMBL8576553 | 0.76 | — | — | |
| Thiourea SCHEMBL1395770 | 0.76 | NOS2 (0.36) | — | |
| Thiourea SCHEMBL50650 | 0.76 | — | — |
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-5464624-A | Method for loading a delivery system for a chemical repellant composition | ISBELL ARTHUR F (US) | 1995-11-07 | — | — | US | claimed |
| US-5464624-A | Method for loading a delivery system for a chemical repellant composition | ISBELL ARTHUR F (US) | 1995-11-07 | — | — | US | disclosed |