⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13492144 | 0.78 | — | — | |
| SCHEMBL384516 | 0.78 | — | — | |
| SCHEMBL13392133 | 0.78 | — | — | |
| SCHEMBL11048871 | 0.77 | — | — | |
| SCHEMBL10231151 | 0.77 | — | — | |
| SCHEMBL18021151 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL22771769 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL22771771 | 0.75 | — | — | |
| SCHEMBL23714994 | 0.71 | — | — | |
| SCHEMBL9876470 | 0.71 | KDM4E (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5495017-A | Preparation of substantially dust-free tetrahydro-3,5-dimethyl-1,3,5-thiadiazine-2-thione granules | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-27 | — | — | US | disclosed |