⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6973635 | 0.82 | — | — | |
| SCHEMBL1046193 | 0.82 | — | — | |
| SCHEMBL158805 | 0.80 | — | — | |
| SCHEMBL31557362 | 0.78 | CA2 (0.34) | — | |
| SCHEMBL8569735 | 0.78 | KDM4E (0.30) | — | |
| SCHEMBL11277339 | 0.75 | CHRM3 (0.43) | — | |
| SCHEMBL10986583 | 0.75 | — | — | |
| SCHEMBL29090492 | 0.63 | TSHR (0.30) | — | |
| SCHEMBL10965402 | 0.61 | — | — | |
| SCHEMBL10943194 | 0.61 | CA2 (0.33) | — |
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-5429936-A | Haptens, Claisen rearrangement | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1995-07-04 | — | — | US | claimed |
| US-5429936-A | Haptens, Claisen rearrangement | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1995-07-04 | — | — | US | disclosed |