⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9576415 | 0.85 | — | — | |
| SCHEMBL6242759 | 0.78 | HDAC2 (0.31) | — | |
| SCHEMBL3330849 | 0.77 | ALDH1A1 (0.43) | — | |
| Hydrochloric Acid SCHEMBL11254712 | 0.76 | CRHBP (0.40) | — | |
| SCHEMBL44788 | 0.76 | MAOA (0.32) | — | |
| SCHEMBL7889571 | 0.75 | — | — | |
| SCHEMBL11346988 | 0.74 | — | — | |
| SCHEMBL262994 | 0.74 | PYGM (0.35) | — | |
| SCHEMBL10544273 | 0.74 | KMT2A (0.36) | — | |
| Formaldehyde SCHEMBL10840621 | 0.72 | MAOA (0.31) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0469785-A2 | Retarders for curing/hardening resole resins | Borden, Inc. (US) | 1992-02-05 | — | — | EP | claimed |
| CN-113056255-B | Ultraviolet screening agent composition comprising cerium oxide particles having surface defects and method for preparing the same | 秀博瑞殷株式公社 | 2023-12-08 | — | — | CN | disclosed |
| WO-1990006327-A1 | FUNCTIONALIZED ALPHA-OLEFIN COPOLYMERS HAVING NARROW MOLECULAR WEIGHT DISTRIBUTION | EXXON CHEMICAL PATENTS INC. (US) | 1990-06-14 | — | — | WO | disclosed |