⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL11580825 | 0.88 | FFAR3 (0.39) | — | |
| SCHEMBL365239 | 0.80 | — | — | |
| Water SCHEMBL8030087 | 0.76 | — | — | |
| SCHEMBL27367623 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL5551020 | 0.76 | — | — | |
| SCHEMBL28474807 | 0.76 | — | — | |
| Dodecanal SCHEMBL5389580 | 0.74 | TSHR (0.73) | — | |
| Butane SCHEMBL27517586 | 0.72 | — | — | |
| SCHEMBL9192876 | 0.72 | LMNA (0.60) | — | |
| SCHEMBL5274410 | 0.71 | — | — |
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-5153321-A | Tetrathionaphthalene, tetraselenonaphthalene, tetratelluro-naphthalene, tetrathiotetracene, tetraselenotetracene, or tetratellurotetracene compounds for charge-transfer complexes | CIBA-GEIGY CORPORATION (US) | 1992-10-06 | — | — | US | disclosed |
| US-5009812-A | Forming charge transfer complexes | CIBA-GEIGY CORPORATION (US) | 1991-04-23 | — | — | US | disclosed |