⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9319386 | 0.67 | — | — | |
| Ditiocarb SCHEMBL21221398 | 0.63 | ABCB11 (0.88) | — | |
| SCHEMBL689389 | 0.61 | — | — | |
| Ditiocarb SCHEMBL30777192 | 0.61 | ABCB11 (1.00) | — | |
| Ditiocarb SCHEMBL48382 | 0.61 | — | — | |
| SCHEMBL10880401 | 0.61 | — | — | |
| SCHEMBL11301444 | 0.61 | — | — | |
| Ditiocarb SCHEMBL25284941 | 0.59 | ABCB11 (0.94) | — | |
| Ditiocarb SCHEMBL16735397 | 0.59 | — | — | |
| Ditiocarb SCHEMBL21801890 | 0.59 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4925895-A | TRANSITION METAL COMPLEX FOR OXIDATION RESISTANCE, FUSER ROLLS IN ELECTROGRAPHIC MACHINES | XEROX CORPORATION (US) | 1990-05-15 | — | — | US | claimed |
| US-4777087-A | MIXTURE OF POLYSILOXANE AND COMPLEX OF TRANSITION METAL SALT AND LIGAND | XEROX CORPORATION (US) | 1988-10-11 | — | — | US | claimed |
| US-4925895-A | TRANSITION METAL COMPLEX FOR OXIDATION RESISTANCE, FUSER ROLLS IN ELECTROGRAPHIC MACHINES | XEROX CORPORATION (US) | 1990-05-15 | — | — | US | disclosed |
| US-4777087-A | MIXTURE OF POLYSILOXANE AND COMPLEX OF TRANSITION METAL SALT AND LIGAND | XEROX CORPORATION (US) | 1988-10-11 | — | — | US | disclosed |