⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24651798 | 0.97 | TSHR (0.46) | — | |
| SCHEMBL1914233 | 0.92 | — | — | |
| Oxalic Acid SCHEMBL9303927 | 0.80 | MAPT (0.45) | — | |
| SCHEMBL4940618 | 0.79 | — | — | |
| SCHEMBL1241873 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL31576596 | 0.74 | — | — | |
| SCHEMBL52388 | 0.74 | — | — | |
| SCHEMBL320412 | 0.74 | — | — | |
| SCHEMBL9282562 | 0.74 | TSHR (0.50) | — | |
| SCHEMBL30370693 | 0.74 | TSHR (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009091016-A1 | CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE | EISAI R & D MANAGEMENT CO., LTD. (JP) | 2009-07-23 | — | — | WO | disclosed |
| US-5294611-A | Hypotensive, congestive heart failure | AMERICAN CYANAMID COMPANY (US) | 1994-03-15 | — | — | US | disclosed |