⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10424707 | 1.00 | — | — | |
| SCHEMBL2568105 | 0.86 | MCL1 (0.32) | — | |
| SCHEMBL9510438 | 0.72 | KDM4E (0.39) | — | |
| SCHEMBL10832965 | 0.70 | — | — | |
| SCHEMBL10833048 | 0.70 | MAP2K1 (0.45) | — | |
| SCHEMBL10833220 | 0.67 | MAP2K1 (0.37) | — | |
| SCHEMBL2761339 | 0.67 | — | — | |
| SCHEMBL10423031 | 0.66 | FOLH1 (0.42) | — | |
| SCHEMBL29895073 | 0.65 | POLB (0.33) | — | |
| SCHEMBL7676041 | 0.65 | MCL1 (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2257169-A1 | TETRAHYDROTHIENO PYRIDINES | Merck Sharp & Dohme Corp. (US) | 2010-12-08 | — | — | EP | disclosed |
| WO-2009108497-A1 | TETRAHYDROTHIENO PYRIDINES | MERCK & CO., INC. (US) | 2009-09-03 | — | — | WO | disclosed |
| US-4974609-A | Tobacco flavorants | PHILIP MORRIS INCORPORATED (US) | 1990-12-04 | — | — | US | disclosed |
| US-4272507-A | Phenylaminothiophenacetic acids, their synthesis, compositions and use | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1981-06-09 | — | — | US | disclosed |
| US-3946111-A | ANALYGESICS | SHARPS ASSOCIATES (US) | 1976-03-23 | — | — | US | disclosed |
| US-3940421-A | Intermediates for the preparation of thienobenzopyrans and thiopyranobenzopyrans | ARTHUR D. LITTLE, INC. (US) | 1976-02-24 | — | — | US | disclosed |