⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15667931 | 0.81 | — | — | |
| SCHEMBL28778250 | 0.78 | — | — | |
| SCHEMBL10793883 | 0.69 | — | — | |
| SCHEMBL2928495 | 0.67 | — | — | |
| SCHEMBL18316486 | 0.65 | — | — | |
| SCHEMBL10456858 | 0.65 | — | — | |
| SCHEMBL10535710 | 0.65 | HTR1A (0.30) | — | |
| SCHEMBL11442560 | 0.65 | — | — | |
| SCHEMBL1198132 | 0.64 | POLB (0.30) | — | |
| SCHEMBL5622135 | 0.64 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4281151-A | ANTIALLERGENS, ANTIANAPHYLACTIC AGENTS | THE UPJOHN COMPANY (US) | 1981-07-28 | — | — | US | disclosed |
| US-4186127-A | ANTIALLERGENS | THE UPJOHN COMPANY (US) | 1980-01-29 | — | — | US | disclosed |
| US-4159278-A | PROPHYAXIS, ANTIALLERGENS, SENSITIZATION | THE UPJOHN COMPANY (US) | 1979-06-26 | — | — | US | disclosed |
| US-4095028-A | PROPHYLAXIS, ALLERGIES | THE UPJOHN COMPANY (US) | 1978-06-13 | — | — | US | disclosed |
| US-4089973-A | Cyano phenylene dioxamic acid compounds used in the treatment of allergy | THE UPJOHN COMPANY (US) | 1978-05-16 | — | — | US | disclosed |
| US-3993679-A | ANTIALLERGY | THE UPJOHN COMPANY (US) | 1976-11-23 | — | — | US | disclosed |