⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11532435 | 0.75 | ALDH1A1 (0.33) | — | |
| SCHEMBL11535246 | 0.73 | LMNA (0.36) | — | |
| SCHEMBL11577287 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL195829 | 0.69 | CHRNB2 (0.35) | — | |
| SCHEMBL10943675 | 0.67 | ALDH1A1 (0.34) | — | |
| SCHEMBL11532911 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL6551752 | 0.66 | ALDH1A1 (0.33) | — | |
| SCHEMBL453690 | 0.66 | NPSR1 (0.33) | — | |
| SCHEMBL11532216 | 0.66 | ALDH1A1 (0.31) | — | |
| SCHEMBL11536857 | 0.66 | ALDH1A1 (0.33) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4153811-A | ORGANOLEPTIC | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-05-08 | — | — | US | disclosed |
| US-4153568-A | Process of enhancing the aroma of a soap with norbornane derivatives | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-05-08 | — | — | US | disclosed |
| US-4151309-A | FOODS, CHEWING GUM, DENTIFRICES, DRUGS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-04-24 | — | — | US | disclosed |
| US-4148826-A | PERFUMES, FLAVORS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-04-10 | — | — | US | disclosed |
| US-4143074-A | ORGANOLEPTIC | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-03-06 | — | — | US | disclosed |
| US-4136120-A | GRIGNARD REACTION, CHELATION, HYDROLYSIS, DEHYDRATION | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1979-01-23 | — | — | US | disclosed |
| US-4130587-A | ORGANOLEPTIC | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-12-19 | — | — | US | disclosed |
| US-4126569-A | Process of enhancing the aroma of a soap with liquid detergent norbornane derivatives | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-11-21 | — | — | US | disclosed |
| US-4126571-A | Process of enhancing the aroma of a soap with norbornane derivatives | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-11-21 | — | — | US | disclosed |
| US-4126570-A | Process of enhancing the aroma of a detergent with norbornane derivatives | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-11-21 | — | — | US | disclosed |
| US-4120308-A | Substituted norbornane derivatives used in the process of flavoring tobacco and the product thereof | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-10-17 | — | — | US | disclosed |
| US-4119577-A | Substituted-norbornane perfumes compositions | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1978-10-10 | — | — | US | disclosed |