⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL28842860 | 0.92 | TRPA1 (0.36) | — | |
| SCHEMBL17192461 | 0.69 | TRPA1 (0.32) | — | |
| SCHEMBL7155019 | 0.69 | — | — | |
| SCHEMBL8818396 | 0.69 | TRPA1 (0.42) | — | |
| SCHEMBL19759477 | 0.66 | TSHR (0.37) | — | |
| SCHEMBL6110100 | 0.65 | TRPA1 (0.38) | — | |
| SCHEMBL10967037 | 0.65 | — | — | |
| SCHEMBL9860035 | 0.65 | — | — | |
| SCHEMBL9635859 | 0.65 | — | — | |
| SCHEMBL8817206 | 0.65 | TRPA1 (0.38) | — |
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 61 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11993625-B2 | Calicheamicin derivatives and antibody drug conjugates thereof | PFIZER, INC. (US) | 2024-05-28 | — | — | US | claimed |
| US-11365263-B2 | Bifunctional cytotoxic agents containing the CTI pharmacophore | PFIZER INC. (US) | 2022-06-21 | — | — | US | claimed |
| US-20210061923-A1 | BIFUNCTIONAL CYTOTOXIC AGENTS CONTAINING THE CTI PHARMACOPHORE | PFIZER INC. (US) | 2021-03-04 | — | — | US | claimed |
| US-10870706-B2 | Bifunctional cytotoxic agents containing the CTI pharmacophore | PFIZER INC. (US) | 2020-12-22 | — | — | US | claimed |
| US-20190345186-A1 | CALICHEAMICIN DERATIVES AND ANTIBODY DRUG CONJUGATES THEREOF | PFIZER INC. (US) | 2019-11-14 | — | — | US | claimed |
| EP-3099692-B9 | BIFUNCTIONAL CYTOTOXIC AGENTS | PFIZER (US) | 2019-11-13 | — | — | EP | claimed |
| US-10391182-B2 | Bifunctional cytotoxic agents | PFIZER INC. (US) | 2019-08-27 | — | — | US | claimed |
| EP-3521292-A1 | BIFUNCTIONAL CYTOTOXIC AGENTS | Pfizer Inc (US) | 2019-08-07 | — | — | EP | claimed |
| EP-3099692-B1 | BIFUNCTIONAL CYTOTOXIC AGENTS | PFIZER (US) | 2019-03-13 | — | — | EP | claimed |
| US-20180339060-A1 | BIFUNCTIONAL CYTOTOXIC AGENTS | PFIZER INC. (US) | 2018-11-29 | — | — | US | claimed |
| US-20150209445-A1 | BIFUNCTIONAL CYTOTOXIC AGENTS | PFIZER INC. | 2015-07-30 | — | — | US | claimed |
| WO-2015110935-A1 | BIFUNCTIONAL CYTOTOXIC AGENTS | PFIZER INC. (US) | 2015-07-30 | — | — | WO | claimed |
| EP-0741716-B1 | DELTA 12,13 -ISO-TAXOL ANALOGS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | UPJOHN CO (US) | 2002-07-24 | — | — | EP | claimed |
| EP-1140791-A2 | SELECTIVE CPLA 2 INHIBITORS | Bristol-Myers Squibb Company (US) | 2001-10-10 | — | — | EP | claimed |
| EP-1140791-A4 | SELECTIVE CPLA 2 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2001-10-10 | — | — | EP | claimed |
| WO-1999015129-A2 | SELECTIVE cPLA2 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 1999-04-01 | — | — | WO | claimed |
| US-5821363-A | Antineoplastic use and pharmaceutical compositions containing them | PHARMACIA & UPJOHN COMPANY (US) | 1998-10-13 | — | — | US | claimed |
| EP-0741716-A1 | DELTA 12,13 -ISO-TAXOL ANALOGS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | PHARMACIA & UPJOHN COMPANY (US) | 1996-11-13 | — | — | EP | claimed |
| WO-1995020582-A1 | Δ12,13-ISO-TAXOL ANALOGS, ANTINEOPLASTIC USE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | PHARMACIA & UPJOHN COMPANY (US) | 1995-08-03 | — | — | WO | claimed |
| EP-0340243-B1 | CC-1065 ANALOGS | UPJOHN CO (US) | 1994-09-28 | — | — | EP | claimed |