⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9807603 | 1.00 | — | — | |
| SCHEMBL5818763 | 1.00 | — | — | |
| SCHEMBL5522044 | 0.93 | — | — | |
| SCHEMBL28049913 | 0.85 | CA1 (0.32) | — | |
| SCHEMBL12060316 | 0.85 | TSHR (0.40) | — | |
| Pyrrole SCHEMBL28081091 | 0.84 | HSD17B10 (0.30) | — | |
| SCHEMBL107295 | 0.84 | — | — | |
| SCHEMBL28807141 | 0.84 | MAP3K14 (0.36) | — | |
| SCHEMBL183974 | 0.84 | — | — | |
| SCHEMBL29108602 | 0.84 | MAP3K14 (0.36) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-4266880-A | — | — | None | — | — | JP | disclosed |
| WO-2023154426-A1 | CDK INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-08-17 | — | — | WO | disclosed |
| EP-0467721-B1 | Optically active compound having a delta- valerolactone ring and liquid crystal composition containing same | MITSUBISHI RAYON CO (JP) | 1996-03-27 | — | — | EP | disclosed |
| US-5480580-A | COMPOUNDS FOR VISUAL AIDS WITH GOOD STABILITY | MITSUBISHI RAYON COMPANY LTD. (JP) | 1996-01-02 | — | — | US | disclosed |
| US-5164113-A | Ferroelectric, polarization promoters | MITSUBISHI RAYON CO., LTD. (JP) | 1992-11-17 | — | — | US | disclosed |
| JP-H04266880-A | PRODUCTION OF 3-DPA-LACTONE | JAPAN TOBACCO INC | 1992-09-22 | — | — | JP | disclosed |
| EP-0467721-A1 | Optically active compound having a delta- valerolactone ring and liquid crystal composition containing same | MITSUBISHI RAYON CO., LTD (JP) | 1992-01-22 | — | — | EP | disclosed |
| EP-0396410-A2 | Optical active compound and liquid crystal composition | MITSUBISHI RAYON CO., LTD. (JP) | 1990-11-07 | — | — | EP | disclosed |