⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2541103 | 1.00 | — | — | |
| SCHEMBL9316712 | 0.89 | TSHR (0.37) | — | |
| SCHEMBL176309 | 0.89 | TSHR (0.37) | — | |
| SCHEMBL27397911 | 0.87 | — | — | |
| SCHEMBL7864546 | 0.87 | TSHR (0.38) | — | |
| SCHEMBL27396003 | 0.85 | ALDH1A1 (0.34) | — | |
| SCHEMBL45005 | 0.83 | — | — | |
| SCHEMBL369762 | 0.83 | — | — | |
| SCHEMBL9250367 | 0.80 | TSHR (0.30) | — | |
| SCHEMBL18222618 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0361843-B1 | Chiral smectic C liquid crystalline polyester | NIPPON OIL CO LTD (JP) | 1995-02-22 | — | — | EP | disclosed |
| US-5230825-A | Copolymers of biphenyldicarboxylic acid with diols | NIPPON OIL COMPANY, LIMITED (JP) | 1993-07-27 | — | — | US | disclosed |