⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6722099 | 0.69 | — | — | |
| SCHEMBL6722104 | 0.69 | — | — | |
| SCHEMBL583849 | 0.67 | — | — | |
| SCHEMBL11243341 | 0.67 | — | — | |
| SCHEMBL10810444 | 0.65 | — | — | |
| SCHEMBL4729582 | 0.65 | KDM5B (0.42) | — | |
| SCHEMBL16499940 | 0.63 | — | — | |
| SCHEMBL7026464 | 0.62 | — | — | |
| SCHEMBL6729186 | 0.62 | — | — | |
| SCHEMBL16499995 | 0.61 | — | — |
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-5037872-A | Substituted N-trichloromethyl thiodicarboximides and N,N-substituted bis-(2,4-diamino-s-triazin-6-yl)-oligosulfides in vulcanizable rubber | FEDERAL REPUBLIC OF GERMANY (DE) | 1991-08-06 | — | — | US | claimed |
| US-5037872-A | Substituted N-trichloromethyl thiodicarboximides and N,N-substituted bis-(2,4-diamino-s-triazin-6-yl)-oligosulfides in vulcanizable rubber | FEDERAL REPUBLIC OF GERMANY (DE) | 1991-08-06 | — | — | US | disclosed |