⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8176534 | 0.74 | — | — | |
| SCHEMBL18062494 | 0.69 | TSHR (0.39) | — | |
| SCHEMBL25268382 | 0.69 | ADRB2 (0.32) | — | |
| SCHEMBL28682221 | 0.69 | — | — | |
| SCHEMBL16545851 | 0.69 | ALDH1A1 (0.35) | — | |
| SCHEMBL28033130 | 0.67 | — | — | |
| SCHEMBL19973264 | 0.66 | — | — | |
| SCHEMBL5775850 | 0.65 | — | — | |
| SCHEMBL18992116 | 0.65 | — | — | |
| SCHEMBL27966980 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113840885-A | Antifouling coating composition | 日东化成株式会社 | 2021-12-24 | — | — | CN | disclosed |
| WO-2020035962-A1 | CATALYST FOR POLYMERIZATION OF OLEFINS, METHOD FOR PRODUCING CATALYST FOR POLYMERIZATION OF OLEFINS, METHOD FOR PRODUCING POLYMER OF OLEFINS, AND POLYMER OF OLEFINS | 東邦チタニウム株式会社 | 2020-02-20 | — | — | WO | disclosed |