⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9248194 | 0.73 | — | — | |
| SCHEMBL11239392 | 0.72 | TAS2R38 (0.44) | — | |
| SCHEMBL5789669 | 0.72 | TAS2R38 (0.44) | — | |
| SCHEMBL18611409 | 0.69 | — | — | |
| SCHEMBL7326915 | 0.69 | — | — | |
| SCHEMBL14993437 | 0.67 | — | — | |
| SCHEMBL5461027 | 0.67 | — | — | |
| SCHEMBL16325437 | 0.67 | — | — | |
| SCHEMBL8432171 | 0.67 | — | — | |
| SCHEMBL465316 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001040244-A1 | N6 HETEROCYCLIC 5' MODIFIED ADENOSINE DERIVATIVES | CV THERAPEUTICS, INC. (US) | 2001-06-07 | — | — | WO | claimed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |
| US-4918074-A | CALCIUM ANTAGONISTS | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1990-04-17 | — | — | US | disclosed |
| EP-0217142-A2 | A polyazaheterocyclic compound | Yoshitomi Pharmaceutical Industries, Ltd. (JP) | 1987-04-08 | — | — | EP | disclosed |