⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21582194 | 1.00 | — | — | |
| SCHEMBL4540627 | 0.73 | — | — | |
| SCHEMBL5059100 | 0.71 | — | — | |
| SCHEMBL2907961 | 0.71 | — | — | |
| SCHEMBL8662316 | 0.71 | — | — | |
| SCHEMBL15988622 | 0.69 | — | — | |
| Tert-Butanol SCHEMBL9931582 | 0.67 | HDAC3 (0.33) | — | |
| SCHEMBL1089731 | 0.65 | — | — | |
| SCHEMBL21582205 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL8661711 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12275916-B2 | Odorant secondary alcohols and their compositions | S H KELKAR & COMPANY LIMITED (IN) | 2025-04-15 | — | — | US | disclosed |
| EP-3802757-B1 | ODORANT SECONDARY ALCOHOLS AND THEIR COMPOSITIONS | S H KELKAR AND COMPANY LTD (IN) | 2024-09-25 | — | — | EP | disclosed |
| US-20210284929-A1 | ODORANT SECONDARY ALCOHOLS AND THEIR COMPOSITIONS | S H KELKAR & COMPANY LIMITED (IN) | 2021-09-16 | — | — | US | disclosed |
| CN-112334567-A | Odorant secondary alcohols and compositions thereof | 丝趣科尔卡有限公司 | 2021-02-05 | — | — | CN | disclosed |