⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26531814 | 0.79 | KMT2A (0.45) | — | |
| Ethylene SCHEMBL11685093 | 0.76 | CES1 (0.58) | — | |
| SCHEMBL27757367 | 0.76 | CES1 (0.65) | — | |
| SCHEMBL106334 | 0.76 | CES1 (0.65) | — | |
| SCHEMBL13893606 | 0.74 | — | — | |
| SCHEMBL17228575 | 0.73 | CES1 (0.61) | — | |
| Butane SCHEMBL18262804 | 0.73 | CES1 (0.61) | — | |
| Hydrochloric Acid SCHEMBL7445198 | 0.73 | CES1 (0.61) | — | |
| SCHEMBL1771855 | 0.73 | CES1 (0.61) | — | |
| Charcoal, Activated SCHEMBL2063571 | 0.73 | CES1 (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0900223-A1 | THIENOPYRIDINE DERIVATIVES AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 1999-03-10 | — | — | EP | claimed |
| WO-1997040050-A1 | THIENOPYRIDINE DERIVATIVES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-10-30 | — | — | WO | claimed |
| US-6403606-B1 | ANTIINFLAMMATORY, ANTIARTHRITIS, A DRUG FOR INHIBITING BONE RESORPTION, IMMUNOSUPPRESSANT | TAKEDA CHEMICAL INDUSTRIES LTD. (JP) | 2002-06-11 | — | — | US | disclosed |
| US-6046189-A | ANTI-INFLAMMATORY DRUG, PARTICULARLY, A DRUG FOR PREVENTING OR TREATING ARTHRITIS, A DRUG FOR INHIBITING BONE RESORPTION, IMMUNOSUPPRESSANT | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-04-04 | — | — | US | disclosed |
| EP-0900223-A1 | THIENOPYRIDINE DERIVATIVES AND THEIR USE | Takeda Chemical Industries, Ltd. (JP) | 1999-03-10 | — | — | EP | disclosed |
| WO-1997040050-A1 | THIENOPYRIDINE DERIVATIVES AND THEIR USE | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1997-10-30 | — | — | WO | disclosed |