⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18493262 | 0.94 | — | — | |
| SCHEMBL30724578 | 0.82 | LMNA (0.35) | — | |
| SCHEMBL28480893 | 0.82 | ADRB1 (0.35) | — | |
| SCHEMBL17065181 | 0.67 | — | — | |
| SCHEMBL28166120 | 0.65 | — | — | |
| SCHEMBL14964964 | 0.65 | — | — | |
| SCHEMBL5062726 | 0.64 | MGLL (0.33) | — | |
| SCHEMBL17065184 | 0.64 | — | — | |
| SCHEMBL31121579 | 0.63 | — | — | |
| SCHEMBL20723192 | 0.63 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108368101-A | SELECTIVE NR2B ANTAGONISTS | 百时美施贵宝公司 | 2018-08-03 | — | — | CN | disclosed |
| US-7053213-B2 | Therapeutic heterocycles | ASTRAZENECA AB (SE) | 2006-05-30 | — | — | US | disclosed |
| US-20030187255-A1 | Therapeutic heterocycles | MILLER SCOTT CARSON (US) | 2003-10-02 | — | — | US | disclosed |
| US-6444809-B1 | ANTIHISTAMINES | ZENECA LIMITED (GB) | 2002-09-03 | — | — | US | disclosed |
| US-6124279-A | NEUROKININ A ANTAGONISTS, ANTIASTHMATIC AGENTS | ZENECA LIMITED (GB) | 2000-09-26 | — | — | US | disclosed |
| US-5990130-A | NOVEL 4-SUBSTITUTED PIPERIDINE DERIVATIVES WHICH ANTAGONIZE NEUROKININ; USEFUL IN TREATMENT OF ASMTHMA AND RELATED CONDITIONS | ZENECA LIMITED (GB) | 1999-11-23 | — | — | US | disclosed |
| US-5861392-A | NONPEPTIDE ANTAGONISTS OF NEUROKININ A USEFUL FOR THE TREATMENT OF ASTHMA | ZENECA LIMITED (GB) | 1999-01-19 | — | — | US | disclosed |
| EP-0714392-B1 | HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS | ZENECA LTD (GB) | 1998-11-04 | — | — | EP | disclosed |
| US-5567700-A | USEFUL FOR TREATING ASTHMA | ZENECA LIMITED (GB) | 1996-10-22 | — | — | US | disclosed |
| EP-0714392-A1 | HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS | ZENECA LIMITED (GB) | 1996-06-05 | — | — | EP | disclosed |
| WO-1995005377-A1 | HETEROCYCLES USEFUL AS NEUROKININ ANTAGONISTS | ZENECA LIMITED (GB) | 1995-02-23 | — | — | WO | disclosed |