⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4862148 | 0.89 | NPC1 (0.30) | — | |
| SCHEMBL4862744 | 0.85 | ALDH1A1 (0.34) | — | |
| SCHEMBL5942590 | 0.85 | ALDH1A1 (0.37) | — | |
| SCHEMBL4862127 | 0.82 | — | — | |
| SCHEMBL4862833 | 0.81 | — | — | |
| SCHEMBL4858009 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL4861163 | 0.73 | ALDH1A1 (0.35) | — | |
| SCHEMBL6920723 | 0.69 | ALDH1A1 (0.42) | — | |
| SCHEMBL28556200 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL3455635 | 0.68 | TGM2 (0.32) | — |
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-7456311-B2 | Adamantane derivative, process for producing the same, and photosensitive material for photoresist | IDEMITSU KOSAN CO., LTD. (JP) | 2008-11-25 | — | — | US | disclosed |
| US-20080009647-A1 | Adamantane Derivative, Process for Producing the Same, and Photosensitive Material for Photoresist | IDEMITSU KOSAN CO., LTD. (JP) | 2008-01-10 | — | — | US | disclosed |